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

C12H9NO3 — CID 21081585

IUPAC2-oxo-1-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(-c2ccccc2)c1=O
InChIInChI=1S/C12H9NO3/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChIKeyIXDWSPYXCCAUAW-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.54
Rot. Bonds2

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

2-oxo-1-phenylpyridine-3-carboxylic acid (PubChem CID 21081585) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-oxo-1-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-phenylpyridine-3-carboxylic acid
PubChem CID21081585
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name2-oxo-1-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(-c2ccccc2)c1=O
InChIInChI=1S/C12H9NO3/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChIKeyIXDWSPYXCCAUAW-UHFFFAOYSA-N
XLogP1.54
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 612407
6-Oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid
CID 11988812
Antipyric acid
CID 246564
5-(Hydroxymethyl)-1-phenylpyridin-2(1H)-one
CID 11988811
2,4-Dioxo-3-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 33676046
4-Oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
CID 70696545
2,5-Dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 2053933
1-Benzyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 2764021
4-Oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
CID 70692446
2-hydroxy-4-methyl-1-phenyl-2H-pyrrol-5-one
CID 11095388
6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282056
6-Methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxylic acid
CID 11702104

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-phenylpyridine-3-carboxylic acid (CID 21081585) is 2-oxo-1-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-phenylpyridine-3-carboxylic acid is O=C(O)c1cccn(-c2ccccc2)c1=O.
What is the InChIKey of 2-oxo-1-phenylpyridine-3-carboxylic acid?
The InChIKey is IXDWSPYXCCAUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11-10(12(15)16)7-4-8-13(11)9-5-2-1-3-6-9/h1-8H,(H,15,16).
What are the key properties of 2-oxo-1-phenylpyridine-3-carboxylic acid?
2-oxo-1-phenylpyridine-3-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 21081585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).