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Chemistry
Heterocyclic Building Blocks
Pyridines
pyridin-2-ol
6-Amino-5-nitropyridin-2-one
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Amines Alcohols Nitroes
pyridin-2-ol

[ CAS No. 211555-30-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 211555-30-5
Chemical Structure| 211555-30-5
Structure of 211555-30-5 * Storage: {[proInfo.prStorage]}
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For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 211555-30-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 211555-30-5 ]

SDS Specification
Alternatived Products of [ 211555-30-5 ]

Product Details of [ 211555-30-5 ]

CAS No. :211555-30-5 MDL No. :MFCD07774107
Formula : C5H5N3O3 Boiling Point : -
Linear Structure Formula :- InChI Key :JFGLOZOVAGYLKU-UHFFFAOYSA-N
M.W : 155.11 Pubchem ID :11182729
Synonyms :
Chemical Name :6-Amino-5-nitropyridin-2-ol

Calculated chemistry of [ 211555-30-5 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 39.49
TPSA : 104.96 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) : -6.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.21
Log Po/w (XLOGP3) : 0.86
Log Po/w (WLOGP) : 0.29
Log Po/w (MLOGP) : -1.08
Log Po/w (SILICOS-IT) : -1.89
Consensus Log Po/w : -0.32

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.68
Solubility : 3.23 mg/ml ; 0.0208 mol/l
Class : Very soluble
Log S (Ali) : -2.65
Solubility : 0.349 mg/ml ; 0.00225 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.46
Solubility : 54.2 mg/ml ; 0.349 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.04

Safety of [ 211555-30-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 211555-30-5 ]

* 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 [ 211555-30-5 ]
  • Downstream synthetic route of [ 211555-30-5 ]

[ 211555-30-5 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 211555-30-5 ]
  • [ 27048-04-0 ]
Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 7, p. 1924 - 1928
[2] Patent: US2008/125358, 2008, A1, . Location in patent: Page/Page column 18
  • 2
  • [ 27048-04-0 ]
  • [ 211555-30-5 ]
Reference： [1] Journal of Organic Chemistry, 2003, vol. 68, # 25, p. 9839 - 9842
[2] Journal of Organic Chemistry, 2012, vol. 77, # 7, p. 3664 - 3669
  • 3
  • [ 385377-29-7 ]
  • [ 142-08-5 ]
  • [ 211555-30-5 ]
Reference： [1] Patent: US8053212, 2011, B1,
  • 4
  • [ 385377-29-7 ]
  • [ 211555-30-5 ]
Reference： [1] Journal of Organic Chemistry, 2003, vol. 68, # 25, p. 9839 - 9842
  • 5
  • [ 4214-75-9 ]
  • [ 211555-30-5 ]
Reference： [1] Journal of Organic Chemistry, 2003, vol. 68, # 25, p. 9839 - 9842
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