2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid

C16H10N4O3 — CID 45377527

IUPAC2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)c(O)cn2)ccc1-n1ccnc1
InChIInChI=1S/C16H10N4O3/c17-7-11-5-10(1-2-14(11)20-4-3-18-9-20)13-6-12(16(22)23)15(21)8-19-13/h1-6,8-9,21H,(H,22,23)
InChIKeyVKTYQWWPOQOPCA-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.21
Rot. Bonds3

About 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid

2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid (PubChem CID 45377527) has the molecular formula C16H10N4O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid
PubChem CID45377527
Molecular FormulaC16H10N4O3
Molecular Weight306.28 g/mol
Exact Mass306.08
IUPAC Name2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)c(O)cn2)ccc1-n1ccnc1
InChIInChI=1S/C16H10N4O3/c17-7-11-5-10(1-2-14(11)20-4-3-18-9-20)13-6-12(16(22)23)15(21)8-19-13/h1-6,8-9,21H,(H,22,23)
InChIKeyVKTYQWWPOQOPCA-UHFFFAOYSA-N
XLogP2.21
TPSA112.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid
CID 45377253
2-[3-cyano-4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]phenyl]-5-hydroxypyridine-4-carboxylic acid
CID 143975575
5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid
CID 115043513
2-(4-cyano-5-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
CID 45257151
2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid
CID 70821245
2-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypyridine-4-carboxylic acid
CID 116864741
5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid
CID 172628262
1-[2-cyano-4-(2-methyltriazol-4-yl)phenyl]azetidine-3-carboxylic acid
CID 167744316
3-ethyl-4-imidazol-1-ylbenzoic acid
CID 84681695
4-bromo-3-imidazol-1-ylbenzoic acid
CID 84711748
4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile
CID 118978613
methyl 2-[4-(azocan-1-yl)-3-cyanophenyl]pyridine-4-carboxylate
CID 71156736

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid (CID 45377527) is 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid is N#Cc1cc(-c2cc(C(=O)O)c(O)cn2)ccc1-n1ccnc1.
What is the InChIKey of 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid?
The InChIKey is VKTYQWWPOQOPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3/c17-7-11-5-10(1-2-14(11)20-4-3-18-9-20)13-6-12(16(22)23)15(21)8-19-13/h1-6,8-9,21H,(H,22,23).
What are the key properties of 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid?
2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid has a molecular weight of 306.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid is sourced from PubChem (CID 45377527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).