Home Cart 0 Sign in  
X

[ CAS No. 19621-92-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 19621-92-2
Chemical Structure| 19621-92-2
Chemical Structure| 19621-92-2
Structure of 19621-92-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 19621-92-2 ]

Related Doc. of [ 19621-92-2 ]

Alternatived Products of [ 19621-92-2 ]

Product Details of [ 19621-92-2 ]

CAS No. :19621-92-2 MDL No. :MFCD03548246
Formula : C6H5NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :VRCWSYYXUCKEED-UHFFFAOYSA-N
M.W :139.11 Pubchem ID :242721
Synonyms :

Calculated chemistry of [ 19621-92-2 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 34.02
TPSA : 70.16 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.67
Log Po/w (XLOGP3) : -0.06
Log Po/w (WLOGP) : 0.07
Log Po/w (MLOGP) : -0.15
Log Po/w (SILICOS-IT) : 0.89
Consensus Log Po/w : 0.28

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.04
Solubility : 12.6 mg/ml ; 0.0906 mol/l
Class : Very soluble
Log S (Ali) : -0.96
Solubility : 15.2 mg/ml ; 0.109 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.28
Solubility : 7.33 mg/ml ; 0.0527 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.45

Safety of [ 19621-92-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 19621-92-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 19621-92-2 ]
  • Downstream synthetic route of [ 19621-92-2 ]

[ 19621-92-2 ] Synthesis Path-Upstream   1~16

  • 1
  • [ 19621-92-2 ]
  • [ 89640-67-5 ]
Reference: [1] Biochemical Journal, 1950, vol. 46, p. 506
  • 2
  • [ 27992-32-1 ]
  • [ 124-38-9 ]
  • [ 19621-92-2 ]
YieldReaction ConditionsOperation in experiment
93%
Stage #1: With isopropylmagnesium chloride In tetrahydrofuran at 0℃; for 0.166667 h;
Stage #2: With n-butyllithium In tetrahydrofuran; hexane at -20℃; for 0.5 h;
Stage #3: at -20℃; for 0.5 h;
To a solution of 2-bromo-6-hydroxypyridine (0.76 g, 4.4 mmol,1.0 equiv.) in dry THF (20 mL) at 0 C was added a 2 M solution of -PrMgCl in THF (2.2 mL,4.4 mmol, 1.0 equiv.) during 5 min. The clear solution was stirred at that temperature for anadditional 5 min, and a 2.5 M solution of n-BuLi in hexanes (3.5 mL, 8.8 mmol, 2.0 equiv.) wasadded dropwise during 5min, while maintaining the temperature below 20 C. The resultingmixture was stirred at that temperature for 0.5 h, dry CO2 (0.20 g, 1.0 equiv.) was added to20 C. The resulting mixture was warmed to 20 C in 0.5 h and quenched with water (6 mL).After stirring the mixture below 20 C for 10 min, the phases were separated and the water phasewas extracted one additional time with ethyl acetate. The resulting suspension was allowed to reachroom temperature and fitered through a mbox0.5 1 cm pad of silica gel eluted with 10 mL of ethylacetate. The ®ltrate was concentrated and the residue was puri®ed by ash chromatography on silicagel (eluent: petroleum ether/ethyl acetate = 10:1) to afford product 3m as off-white solid, 0.56 g (yield: 93percent) , m.p.: 275–277 C. 1H-NMR (600 MHz, DMSO) 7.56 (dd, J = 8.9, 7.0 Hz, 1H), 6.97 (d, J = 6.8 Hz,1H), 6.65 (d, J = 9.0 Hz, 1H). 13C-NMR (151 MHz, DMSO) 163.28, 162.67, 140.51, 137.97, 123.88, 110.42.
Reference: [1] Molecules, 2017, vol. 22, # 11,
  • 3
  • [ 98-98-6 ]
  • [ 19621-92-2 ]
Reference: [1] Tetrahedron Letters, 1988, vol. 29, # 35, p. 4389 - 4392
[2] Organic and Biomolecular Chemistry, 2004, vol. 2, # 15, p. 2253 - 2261
  • 4
  • [ 672-67-3 ]
  • [ 19621-92-2 ]
Reference: [1] Journal of Organic Chemistry, 1941, vol. 6, p. 566,573
  • 5
  • [ 499-83-2 ]
  • [ 19621-92-2 ]
Reference: [1] Acta Crystallographica Section C: Crystal Structure Communications, 2004, vol. 60, # 7, p. m338-m340
  • 6
  • [ 67-56-1 ]
  • [ 19621-92-2 ]
  • [ 30062-34-1 ]
YieldReaction ConditionsOperation in experiment
90% With hydrogenchloride In 1,4-dioxane at 20℃; for 48 h; Step 1: Synthesis of methyl 6-hydroxypicolinate0OH MeOH. HCIrt,2dOHTo a solution of 6-hydroxypicolinic acid (13.0 g, 93.5 mmol) in methanol (150 mL) at room temperature was added HCI in dioxane (4N, 10 mL). The resulting mixture wasstirred at room temperature for 48 hours. The reaction mixture was concentrated to give methyl 6-hydroxypicolinate (13 g, 90percent) as a white solid.
90% With hydrogenchloride In 1,4-dioxane at 20℃; for 48 h; To a solution of 6-hydroxypicolinic acid (13.0 g, 93.5 mmol) in methanol (150 mL) at room temperature was added HCl in dioxane (4N, 10 mL). The resulting mixture was stirred at room temperature for 48 hours. The reaction mixture was concentrated to give methyl 6-hydroxypicolinate (13 g, 90percent) as a white solid.
90% With hydrogenchloride In 1,4-dioxane at 20℃; for 48 h; To a solution of 6-hydroxypicolinic acid (13.0 g, 93.5 mmol) in methanol (150 mL) at room temperature was added HCI in dioxane (4N, 10 mL). The resulting mixture was stirred at room temperature for 48 hours. The reaction mixture was concentrated to give methyl 6-hydroxypicolinate (13 g, 90percent) as a white solid.
90% With hydrogenchloride In 1,4-dioxane at 20℃; for 48 h; To a solution of 6-hydroxypicolinic acid (13.0 g, 93.5 mmol) in methanol (150 mL) at room temperature was added HCl in dioxane (4N, 10 mL). The resulting mixture was stirred at room temperature for 48 hours. The reaction mixture was concentrated to give methyl 6-hydroxypicolinate (13 g, 90percent) as a white solid.
87% for 20 h; Reflux General procedure: 4-Hydroxypicolinic acid 3 (348 mg, 2.5 mmol) was added to methanol (25 mL), and then concentrated sulfuric acid (0.2 mL). The mixture was refluxed for 20 h, then the solvent was evaporated under vacuum. The residue was neutralized with saturated aqueous sodium bicarbonate solution, extracted with DCM/MeOH (10/1, 5×30 mL), dried over anhydrous Na2SO4, concentrated under vacuum to give compound 4 (196 mg, 51percent) as a white solid. 1H NMR (400 MHz, Methanol-d4) δ 7.92 (d, J = 7.0 Hz, 1H), 7.14 (s, 1H), 6.63 (d, J = 7.0 Hz, 1H), 3.99 (s, 3H). MS (ESI) m/z = 154.1 ([M+H]+). To a solution of compound 4 (77 mg, 0.5mmol) in DMF (2 mL) was added potassium carbonate (104 mg, 0.75 mmol), then 1,4-dibromobutane (325 mg, 1.5 mmol) at 0°C. The mixture was stirred at room temperature for 3 h, and then partitioned between water (30 mL) and ethyl acetate (EA, 30 mL). The organic phase was washed with water (3×30 mL), saturated brine (30 mL), dried over anhydrous Na2SO4, concentrated under vacuum, purified by column chromatography using DCM : MeOH (100:1) as eluent to give 5 (95 mg, 66percent) as a light yellow oil. 1H NMR (400 MHz, DMSO-d6) δ 8.51 (d, J = 5.6 Hz, 1H), 7.55 (d, J = 2.6 Hz, 1H), 7.22 (dd, J = 5.7, 2.6 Hz, 1H), 4.19 (t, J = 6.2 Hz, 2H), 3.62 (t, J = 6.5 Hz, 2H), 1.98 (p, J = 6.7 Hz, 2H), 1.92 – 1.83 (m, 2H). MS (ESI) m/z = 288.2 ([M+H]+). Corresponding arylpiperazine (arylpiperidine) (0.24 mmol), 5 (90 mg, 0.31 mmol), potassium carbonate (83 mg, 0.6mmol) and potassium iodide (40 mg, 0.24 mmol) were added to acetonitrile (5 mL). The reaction mixture was refluxed overnight, cooled to room temperature, partitioned between EA and water. The organic layer was dried over anhydrous Na2SO4, concentrated under vacuum to give 6a–6e which was used directly in the next step without further purification.
36% at 65℃; A solution of 6-hydroxypyridine-2-carboxylic acid (5.00 g, 35.94 mmol, 1.00 equiv) in methanol (100 mL) and sulfuric acid (20 mL). was stirred overnight at 65 °C. The resulting reaction mixture was concentrated under reduced pressure, diluted with water (200 mL) and the solid precipitate was collected by filtration and washed with water and aqueous NaHC03. The filter cake was dissolved in ethyl acetate (20 mL) dried over anhydrous sodium sulfate and concentrated under reduced pressure to provide 2 g (36percent) of the product as a white solid

Reference: [1] Patent: WO2004/37808, 2004, A1, . Location in patent: Page 19-20
[2] Patent: WO2014/154727, 2014, A1, . Location in patent: Page/Page column 38; 52
[3] Patent: US2014/296239, 2014, A1, . Location in patent: Paragraph 0097; 0098
[4] Patent: WO2014/154726, 2014, A1, . Location in patent: Page/Page column 38-39
[5] Patent: US2014/296296, 2014, A1, . Location in patent: Paragraph 0106; 0107
[6] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 4, p. 606 - 611
[7] Journal of Medicinal Chemistry, 2017, vol. 60, # 2, p. 722 - 748
[8] Patent: WO2013/96771, 2013, A1, . Location in patent: Page/Page column 160
[9] Tetrahedron, 2010, vol. 66, # 7, p. 1483 - 1488
[10] Patent: WO2014/2057, 2014, A1, . Location in patent: Page/Page column 72
  • 7
  • [ 19621-92-2 ]
  • [ 30062-34-1 ]
Reference: [1] Biochemical Journal, 1950, vol. 46, p. 506
  • 8
  • [ 19621-92-2 ]
  • [ 74-88-4 ]
  • [ 59864-31-2 ]
YieldReaction ConditionsOperation in experiment
62%
Stage #1: With potassium hydroxide In methanol; water at 100℃; for 0.25 h;
Stage #2: at 100℃; for 1 h;
To a 50-mL round bottom flask, 6-oxo-1,6-dihydropyridine-2-carboxylic acid (500 mg, 3.59 mmol) was added, and suspended in methanol (5 mL) and water (0.8 mL), then potassium hydroxide (400 mg, 7.13 mmol) was added to the suspension, and the resulting mixture was stirred at 100°C for 15 minutes. The reaction solution was returned to room temperature, iodomethane (2.6 mL, 41.8 mmol) was added to the reaction solution, and the resulting mixture was stirred at 100°C for 1 hour, and then concentrated under reduced pressure until the solvent volume was reduced by half. To the reaction solution, 3 N hydrochloric acid was added, and the produced solid was collected by filtration, washed with water and acetonitrile, and then dried under reduced pressure to obtain the title compound (339 mg, 62percent) as white powder. 1H NMR (DMSO-de, 400 MHz): δ 7.45 (dd, 1H, J = 9.2, 6.9 Hz), 6.72 (dd, 1H, J = 6.9, 1.4 Hz), 6.59 (dd, 1H, J = 9.2, 1.4 Hz), 3.51 (s, 3H).
Reference: [1] Patent: EP3272750, 2018, A1, . Location in patent: Paragraph 0149; 0150
  • 9
  • [ 19621-92-2 ]
  • [ 80099-98-5 ]
YieldReaction ConditionsOperation in experiment
100%
Stage #1: at 90℃; for 8 h;
To 20 g (144 mmol) of 6-hydroxypicolinic acid were added 50.6 g (330 mmol) of phosphorus oxychloride and 99.8 g (479 mmol) of phosphorus pentachloride, and the mixture was stirred at 90° C. for 8 hours. [0325] After cooling, 8.6 g of formic acid was added to the mixture, and the resulting mixture was concentrated by an evaporator to obtain the desired compound 6-chloropicolinic chloride quantitatively.
Reference: [1] Patent: US2004/14977, 2004, A1, . Location in patent: Page 20
[2] Patent: EP1302466, 2003, A1,
  • 10
  • [ 19621-92-2 ]
  • [ 74-88-4 ]
  • [ 26893-73-2 ]
YieldReaction ConditionsOperation in experiment
87% With sodium hydroxide In tetrahydrofuran; methanol; chloroform; water; toluene PREPARATION 234
6-Methoxy-pyridine-2-carboxylic acid
To 6-hydroxypicolinic acid (1.39 g, 10.0 mmol) in toluene (35 mL) was added silver oxide (2.43 g, 10.5 mmol) and the mixture was stirred for 30 minutes.
To the reaction was added iodomethane (1.31 mL, 21.0 mmol), and the reaction was heated to reflux overnight.
The reaction was filtered over celite and concentrated to give 1.45 g of the methyl ester as a yellow solid.
The resulting solid was dissolved in tetrahydrofuran (50 mL), and added to a solution of 5N NaOH (20 mL, 100 mmol) and water (5 mL).
After one hour, the reaction was acidified to pH 3 with 5N HCl and concentrated.
To the resulting white solids was added 20percent MeOH/CHCl3 and the mixture was sonicated for 20 minutes.
The mixture was filtered, and the mother liquor was dried over MgSO4 and concentrated to give 1.33 g of the title compound as a white solid, 87percent yield.
1H NMR: consistent with structure. MS (ion spray) 152 (M-).
Reference: [1] Patent: US2003/100576, 2003, A1,
  • 11
  • [ 19621-92-2 ]
  • [ 74-88-4 ]
  • [ 26256-72-4 ]
YieldReaction ConditionsOperation in experiment
100% With silver carbonate In chloroform at 60℃; for 26 h; 6-hydroxypyridine-2-carboxylic acid (1 g, 7.19 mmol) and silver carbonate (2.2 g, 7.90 mmol) were dissolved in chloroform (20 mL) in a flask to which methyl iodide (1 mL, 15.81 mmol) was then dropwise added, and stirred at 60°C for 26 hrs. The reaction mixture was filtered, extracted with chloroform, and subjected to vacuum filtration and vacuum distillation. The residue was purified using column chromatography (ethyl acetate:hexane = 1 :5) to obtain the desired compound (1.25 g, 100percent).
Reference: [1] Patent: WO2014/3483, 2014, A1, . Location in patent: Page/Page column 34
[2] Organic and Biomolecular Chemistry, 2006, vol. 4, # 6, p. 1071 - 1084
[3] Organic Letters, 2009, vol. 11, # 23, p. 5562 - 5565
[4] Patent: WO2011/79076, 2011, A1, . Location in patent: Page/Page column 93
  • 12
  • [ 19621-92-2 ]
  • [ 63071-12-5 ]
Reference: [1] Patent: WO2014/3483, 2014, A1,
[2] Patent: WO2011/79076, 2011, A1,
  • 13
  • [ 19621-92-2 ]
  • [ 94781-89-2 ]
YieldReaction ConditionsOperation in experiment
77% at 80℃; for 12 h; Using a modified version of a literaturemethod [60], to a suspensionof 6-hydroxypicolinic acid 12 (26.20 g, 188 mmol) in glacial acetic acid(160 mL) was carefully added peroxyacetic acid (36–40percent, 80 mL). Thetemperature was carefully raised to 80 °C and stirring was continuedfor 12 h. The flask was allowed to cool to room temperature and theresulting solid precipitate was collected by filtration and washed withdiethyl ether, affording the title compound 13 as a cream solid(18.17 g, 77percent). Mp 223–226 °C (from AcOH, Lit [64]. 216 °C).vmax(neat)/cm−1 3114 (O\\H), 1611 (CO), 1505 (CO), 1198.δH(399.8 MHz, DMSO-d6) 6.65 (1H, dd, J 7.3, 1.8, 3-H), 6.73 (1H, dd, J9.2, 1.8, 5-H), 7.46 (1H, dd, J 8.7, 6.9, 4-H). δC(100.5 MHz, DMSO-d6)106.8 (ArC), 120.8 (ArC), 137.3 (ArC), 139.5 (quat), 157.7 (quat),162.4 (quat).
77% at 80℃; for 12 h; To a suspension of 6-hydroxypicolinic acid [4] (26.20 g, 188 mmolj having the formula: in glacial acetic acid (160 mU was carefully added peroxyacetic acid (36—40 percent, 80 mU. The temperature was carefully raised to 80 °C and stirring was continued for 12 hours. The flask was allowed to cool to room temperature and the resulting solid precipitate was collected by filtration and washed with diethyl ether, affording 1 -Hydroxy-6-oxo- 1,6-dihydropyridine-2 -carb oxylic acid [5] as a cream solid (18.17 g, 77 percentJ, having the formula:
73% With peracetic acid; acetic acid; trifluoroacetic acid In water at 20 - 80℃; for 11 h; An alternative route is described below; Acetic anhydride ( 100 ml) was mixed with 0 30percent hydrogen peroxide solution (25 ml) with cooling, the mixture was stirred for 3 hr until a homogenous peracetic acid solution formed To a solution of 6-hydroxy-picolinic acid <n="59"/>(Fluka, 25 g, 0 18 mol) in a mixture of trifluoroacetic acid ( 150 mL) and glacial acetic acid ( 100 mL), the above peracetic acid solution was added slowly with stirring (CAUTION 1 any solid particle in the mixture will caused vigorous oxygen release and lead to out of control of the reaction) The mixture stirred at room temperature for one 1 hr, and heated slowly to 75 0C and kept at 80 0C (oil bath temperature) for 10 hr White precipitate formed during this period, it was collected by filtration, washed with cold methanol, and dried in a vacuum oven, yield 20 5 g (0 132 mol, 73percent) mp 176- 177 0C [0218] 1 H NMR(300MHz, DMSO-^5) δ 6 634(dd, Jorthro = 7 Hz, Jmeta = 1 5 Hz, IH),6 710(dd, Jorthro=9, Jme,a= 7 Hz, IH) 13C NMR(75 MHz, DMSO-?r) δ 106 9, 120 6, 135 0, 137 3, 157 4, 163 3 IR (KBr pellet) v 1734 (br, C=O), 1616(m, C=O) cm ' Anal Calcd (Found) for C6H5NO4 (F W 155 15) C, 46 46 (46 31 ), H, 3 25 (3 45), N, 9 03 (9 12)
73%
Stage #1: at 20 - 80℃; for 11 h;
Stage #2: With potassium hydroxide In water at 80℃; for 6 h;
Stage #3: With hydrogenchloride In water
Acetic anhydride (100 mL) was mixed with 30percent H2O2 solution (25 mL) with cooling. The mixture was stirred for 4 h until a homogenous peracetic acid solution formed. This peracetic acid solution was added slowly with stirring to a solution of 6- hydroxy-picolinic acid (Fluka, 25 g, 0.18 mol) in a mixture of trifluoroacetic acid (150 mL) and glacial acetic acid (100 mL) (CAUTION. solid particles in the mixture cause vigorous oxygen evolution and can lead to an uncontrolled reaction). The mixture was stirred at room temperature for 1 h, and then heated slowly to 80 0C (oil bath temperature) and kept at 80 0C for 10 h. A white precipitate formed during this period, which was collected by filtration, washed with cold methanol, and dried. It was dissolved in aqueous 10percent KOH, heated to 80 0C for 6 hours, and re-precipitated with concentrated HCl. The product was collected by filtration, washed with water and dried in a vacuum oven. Yield 20.5 g (0.132 mol, 73percent). mp 176-177 0C. Anal. Calc'd. (Found) for C6H5NO4 (F.W. 155.15): C, 46.46 (46.31); H, 3.25 (3.45), N, 9.03 (9.12). 1H NMR (500 MHz, DMSO-Cl6): δ 6.63 (dd, J = 7.0, 1.5 Hz, IH), 6.71 (dd, J = 9.2, 1.5 Hz, IH), 7.43 (dd, J = 9.0, 7.1 Hz, I H). 13C NMR (125MHz, DMSO- d6): 5106.9, 120.5, 134.9, 137.3, 157.4, 163.3. IR (KBr pellet): 1734 cm" 1 (br, C=O); 1616 cm' 1 (m, C=O).

Reference: [1] Chemical Communications, 2017, vol. 53, # 61, p. 8529 - 8532
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 11, p. 4849 - 4860
[3] Journal of Inorganic Biochemistry, 2016, vol. 160, p. 49 - 58
[4] Patent: WO2016/79502, 2016, A1, . Location in patent: Page/Page column 22 ; 23
[5] Journal of Medicinal Chemistry, 2002, vol. 45, # 18, p. 3963 - 3971
[6] Patent: WO2008/8797, 2008, A2, . Location in patent: Page/Page column 57-58
[7] Patent: WO2007/121453, 2007, A2, . Location in patent: Page/Page column 108
[8] Journal of Molecular Structure, 2013, vol. 1031, p. 144 - 151
[9] Patent: WO2017/105565, 2017, A2, . Location in patent: Paragraph 0109
  • 14
  • [ 19621-92-2 ]
  • [ 156094-63-2 ]
Reference: [1] Patent: WO2011/79076, 2011, A1,
  • 15
  • [ 19621-92-2 ]
  • [ 210366-15-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 18, p. 3963 - 3971
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 11, p. 4849 - 4860
[3] Patent: WO2017/105565, 2017, A2,
[4] Patent: WO2007/121453, 2007, A2,
  • 16
  • [ 19621-92-2 ]
  • [ 1214385-51-9 ]
YieldReaction ConditionsOperation in experiment
99% at 80℃; for 16 h; Bromine (115 g, 720 mmol) was added drop-wise to a suspension of 6-oxo-1,6-dihydropyridine-2-carboxylic acid (25 g, 180 mmol) in acetic acid (400 mL). The reaction mixture was heated to 80° C. for 16 hours, whereupon it was concentrated to dryness under reduced pressure. The residue was triturated with tert-butyl methyl ether (200 mL) and filtered; the filter cake was washed with tert-butyl methyl ether (3×100 mL) to provide the product as a gray solid. Yield: 39.0 g, 179 mmol, 99percent. 1H NMR (400 MHz, DMSO-d6) δ 8.03 (d, J=7.3 Hz, 1H), 6.83 (d, J=7.3 Hz, 1H).
Reference: [1] Patent: US2016/222007, 2016, A1, . Location in patent: Paragraph 0354; 0355
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 19621-92-2 ]

Amides

Chemical Structure| 59864-31-2

[ 59864-31-2 ]

1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Similarity: 0.94

Chemical Structure| 30062-34-1

[ 30062-34-1 ]

Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate

Similarity: 0.89

Chemical Structure| 94781-89-2

[ 94781-89-2 ]

1-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Similarity: 0.80

Chemical Structure| 103997-21-3

[ 103997-21-3 ]

5-Chloro-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Similarity: 0.80

Chemical Structure| 358751-77-6

[ 358751-77-6 ]

6-Oxo-1,6-dihydropyridine-2-carbaldehyde

Similarity: 0.77

Carboxylic Acids

Chemical Structure| 59864-31-2

[ 59864-31-2 ]

1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Similarity: 0.94

Chemical Structure| 94781-89-2

[ 94781-89-2 ]

1-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Similarity: 0.80

Chemical Structure| 103997-21-3

[ 103997-21-3 ]

5-Chloro-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Similarity: 0.80

Chemical Structure| 937-27-9

[ 937-27-9 ]

1H-Pyrrole-2,5-dicarboxylic acid

Similarity: 0.78

Chemical Structure| 3757-53-7

[ 3757-53-7 ]

5-Methyl-1H-pyrrole-2-carboxylic acid

Similarity: 0.78

Related Parent Nucleus of
[ 19621-92-2 ]

Pyridines

Chemical Structure| 59864-31-2

[ 59864-31-2 ]

1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Similarity: 0.94

Chemical Structure| 30062-34-1

[ 30062-34-1 ]

Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate

Similarity: 0.89

Chemical Structure| 94781-89-2

[ 94781-89-2 ]

1-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Similarity: 0.80

Chemical Structure| 103997-21-3

[ 103997-21-3 ]

5-Chloro-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Similarity: 0.80

Chemical Structure| 358751-77-6

[ 358751-77-6 ]

6-Oxo-1,6-dihydropyridine-2-carbaldehyde

Similarity: 0.77