5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid

C13H8N2O3 — CID 115043513

IUPAC5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid
SMILESN#Cc1cnc(-c2cccc(O)c2)cc1C(=O)O
InChIInChI=1S/C13H8N2O3/c14-6-9-7-15-12(5-11(9)13(17)18)8-2-1-3-10(16)4-8/h1-5,7,16H,(H,17,18)
InChIKeyFXLFFDNCZHQKQJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.02
Rot. Bonds2

About 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid

5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid (PubChem CID 115043513) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid
PubChem CID115043513
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid
SMILESN#Cc1cnc(-c2cccc(O)c2)cc1C(=O)O
InChIInChI=1S/C13H8N2O3/c14-6-9-7-15-12(5-11(9)13(17)18)8-2-1-3-10(16)4-8/h1-5,7,16H,(H,17,18)
InChIKeyFXLFFDNCZHQKQJ-UHFFFAOYSA-N
XLogP2.02
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid
CID 115042471
2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid
CID 45377253
3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 90994241
2-(4-cyano-5-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
CID 45257151
8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
CID 91190343
2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid
CID 45377527
4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid
CID 142770731
2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid
CID 70821245
5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 133089636
3-(5-isocyanato-2-pyridinyl)phenol
CID 115027764
methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate
CID 166089309
2-cyano-5-methylbenzoic acid
CID 66570727

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid (CID 115043513) is 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid is N#Cc1cnc(-c2cccc(O)c2)cc1C(=O)O.
What is the InChIKey of 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid?
The InChIKey is FXLFFDNCZHQKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c14-6-9-7-15-12(5-11(9)13(17)18)8-2-1-3-10(16)4-8/h1-5,7,16H,(H,17,18).
What are the key properties of 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid?
5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115043513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).