There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 1171919-00-8 | MDL No. : | MFCD12498707 |
Formula : | C5H3ClI2N2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ADBYPUPWCVKWCP-UHFFFAOYSA-N |
M.W : | 380.35 | Pubchem ID : | 45588299 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 59.09 |
TPSA : | 38.91 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.89 cm/s |
Log Po/w (iLOGP) : | 1.86 |
Log Po/w (XLOGP3) : | 2.43 |
Log Po/w (WLOGP) : | 2.53 |
Log Po/w (MLOGP) : | 2.24 |
Log Po/w (SILICOS-IT) : | 3.29 |
Consensus Log Po/w : | 2.47 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.17 |
Solubility : | 0.0255 mg/ml ; 0.0000671 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -2.89 |
Solubility : | 0.49 mg/ml ; 0.00129 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.12 |
Solubility : | 0.0289 mg/ml ; 0.0000759 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.25 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 | UN#: | 2811 |
Hazard Statements: | H301-H311-H331 | Packing Group: | Ⅲ |
GHS Pictogram: |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
49.7% | With potassium acetate; Iodine monochloride In acetic acid at 70℃; for 4 h; Inert atmosphere | A mixture of 2-chloro-4-amino pyridine 1 (20g, 0.15mol), potassium acetate (22.9g, 0.23mol) and ICl (27.7g, 0.17mol) in glacial acetic acid (200mL) was heated to 70°C for 4h. The solvent was concentrated under reduced pressure. The residue was neutralized with 10percent NaHCO3 solution (250mL) and extracted with two 300-mL portions of EtOAc. The combined organic extracts were washed with brine (200mL) and dried over anhydrous Na2SO4. The solvent was removed in vacuum. The crude product showed a mixture of iodopyridines 2, 3 and 4 in the ratio 45:45:10. The required compound 2 (elution 2) was isolated via normal phase preparative HPLC (mobile phase: 60:40, 0.1percent TFA in hexane-IPA; column: SunFire Silica 19*150mm, 5μm; Flow rate: 18.0mL/min) in 49.7percent yield (19.7g) as an off white solid. |
49.7% | at 70℃; for 4 h; Inert atmosphere | A mixture of 2-chloro-4-amino pyridine 1 (20g, 0.15mol), potassium acetate (22.9g, 0.23mol) and ICl (27.7g, 0.17mol) in glacial acetic acid (200mL) was heated to 70°C for 4h. After completion of the reaction, the solvent was concentrated under reduced pressure. The residue was neutralized with 10percent NaHCO3 solution (250mL) and extracted with two 300-mL portions of EtOAc. The combined organic extracts were washed with brine (200mL) and dried over anhydrous Na2SO4. The solvent was removed in vacuum. The crude product showed a mixture of iodopyridines 2, 3 and 4 in the ratio 45:45:10. The required compound 2 (elution 3) was isolated via normal phase preparative HPLC (mobile phase: 60:40, 0.1percent TFA in hexane-IPA; column: SunFire Silica 19×150mm, 5μm; Flow rate: 18.0mL/min) in 49.7percent yield (19.7g) as an off white solid; mp 102.9–104.1°C; 1H NMR (400MHz, DMSO-D6): δ 7.73 (d, J=4.0Hz, 1H), 6.52 (d, J=4.0Hz, 1H), 6.50 (s, 2H); MS (m/z): 255.0 [M+H]+. Anal. calcd. for C5H4ClIN2: C, 23.60; H, 1.58; N, 11.01; found: C, 23.59; H, 1.578; N, 10.99 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
49.7% | With potassium acetate; Iodine monochloride In acetic acid at 70℃; for 4 h; Inert atmosphere | A mixture of 2-chloro-4-amino pyridine 1 (20g, 0.15mol), potassium acetate (22.9g, 0.23mol) and ICl (27.7g, 0.17mol) in glacial acetic acid (200mL) was heated to 70°C for 4h. The solvent was concentrated under reduced pressure. The residue was neutralized with 10percent NaHCO3 solution (250mL) and extracted with two 300-mL portions of EtOAc. The combined organic extracts were washed with brine (200mL) and dried over anhydrous Na2SO4. The solvent was removed in vacuum. The crude product showed a mixture of iodopyridines 2, 3 and 4 in the ratio 45:45:10. The required compound 2 (elution 2) was isolated via normal phase preparative HPLC (mobile phase: 60:40, 0.1percent TFA in hexane-IPA; column: SunFire Silica 19*150mm, 5μm; Flow rate: 18.0mL/min) in 49.7percent yield (19.7g) as an off white solid. |
49.7% | at 70℃; for 4 h; Inert atmosphere | A mixture of 2-chloro-4-amino pyridine 1 (20g, 0.15mol), potassium acetate (22.9g, 0.23mol) and ICl (27.7g, 0.17mol) in glacial acetic acid (200mL) was heated to 70°C for 4h. After completion of the reaction, the solvent was concentrated under reduced pressure. The residue was neutralized with 10percent NaHCO3 solution (250mL) and extracted with two 300-mL portions of EtOAc. The combined organic extracts were washed with brine (200mL) and dried over anhydrous Na2SO4. The solvent was removed in vacuum. The crude product showed a mixture of iodopyridines 2, 3 and 4 in the ratio 45:45:10. The required compound 2 (elution 3) was isolated via normal phase preparative HPLC (mobile phase: 60:40, 0.1percent TFA in hexane-IPA; column: SunFire Silica 19×150mm, 5μm; Flow rate: 18.0mL/min) in 49.7percent yield (19.7g) as an off white solid; mp 102.9–104.1°C; 1H NMR (400MHz, DMSO-D6): δ 7.73 (d, J=4.0Hz, 1H), 6.52 (d, J=4.0Hz, 1H), 6.50 (s, 2H); MS (m/z): 255.0 [M+H]+. Anal. calcd. for C5H4ClIN2: C, 23.60; H, 1.58; N, 11.01; found: C, 23.59; H, 1.578; N, 10.99 |
[ 909036-46-0 ]
2-Chloro-3-iodopyridin-4-amine
Similarity: 0.98
[ 1235873-11-6 ]
2,6-Dichloro-3-iodopyridin-4-amine
Similarity: 0.96
[ 800402-12-4 ]
2-Chloro-5-iodo-4-pyridinamine
Similarity: 0.92
[ 909036-46-0 ]
2-Chloro-3-iodopyridin-4-amine
Similarity: 0.98
[ 1235873-11-6 ]
2,6-Dichloro-3-iodopyridin-4-amine
Similarity: 0.96
[ 800402-12-4 ]
2-Chloro-5-iodo-4-pyridinamine
Similarity: 0.92
[ 909036-46-0 ]
2-Chloro-3-iodopyridin-4-amine
Similarity: 0.98
[ 1235873-11-6 ]
2,6-Dichloro-3-iodopyridin-4-amine
Similarity: 0.96
[ 800402-12-4 ]
2-Chloro-5-iodo-4-pyridinamine
Similarity: 0.92
[ 909036-46-0 ]
2-Chloro-3-iodopyridin-4-amine
Similarity: 0.98
[ 1235873-11-6 ]
2,6-Dichloro-3-iodopyridin-4-amine
Similarity: 0.96
[ 800402-12-4 ]
2-Chloro-5-iodo-4-pyridinamine
Similarity: 0.92