5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid

C13H8N2O3 — CID 53306638

IUPAC5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(=O)n(-c2ccccc2)c1
InChIInChI=1S/C13H8N2O3/c14-7-9-6-11(13(17)18)12(16)15(8-9)10-4-2-1-3-5-10/h1-6,8H,(H,17,18)
InChIKeySPOQBOFAQGYKHP-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.41
Rot. Bonds2

About 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid

5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid (PubChem CID 53306638) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid
PubChem CID53306638
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(=O)n(-c2ccccc2)c1
InChIInChI=1S/C13H8N2O3/c14-7-9-6-11(13(17)18)12(16)15(8-9)10-4-2-1-3-5-10/h1-6,8H,(H,17,18)
InChIKeySPOQBOFAQGYKHP-UHFFFAOYSA-N
XLogP1.41
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-phenylpyridine-3,5-dicarbonitrile
CID 53306487
5-amino-2-oxo-1-phenylpyridine-3-carbonitrile
CID 82043803
5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 53436945
1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115542701
5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 13157207
1-(4-cyanobenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731962
1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid
CID 70608832
methyl 5-(2-cyanophenyl)-6-oxo-1-phenylpyridine-3-carboxylate
CID 22319231
1-(3-cyanophenyl)pyrrole-2-carboxylic acid
CID 10488716
1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 4101882
2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile
CID 22318990
2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3613859

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid (CID 53306638) is 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid is N#Cc1cc(C(=O)O)c(=O)n(-c2ccccc2)c1.
What is the InChIKey of 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid?
The InChIKey is SPOQBOFAQGYKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c14-7-9-6-11(13(17)18)12(16)15(8-9)10-4-2-1-3-5-10/h1-6,8H,(H,17,18).
What are the key properties of 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid?
5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 53306638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).