2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid

C12H9NO3 — CID 46314978

IUPAC2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C12H9NO3/c14-11-10(8-4-2-1-3-5-8)9(12(15)16)6-7-13-11/h1-7H,(H,13,14)(H,15,16)
InChIKeyRLOHCBUEENDBAZ-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.74
Rot. Bonds2

About 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid

2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid (PubChem CID 46314978) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid
PubChem CID46314978
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C12H9NO3/c14-11-10(8-4-2-1-3-5-8)9(12(15)16)6-7-13-11/h1-7H,(H,13,14)(H,15,16)
InChIKeyRLOHCBUEENDBAZ-UHFFFAOYSA-N
XLogP1.74
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-3-(2,3,4,5,6-pentachlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092135
3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid
CID 82400523
3-cyano-2-oxo-1H-pyridine-4-carboxylic acid
CID 82415014
2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
CID 10375975
2-(2-oxo-1H-pyridin-3-yl)-4-phenylbenzoic acid
CID 69007139
2-phenyl-1H-pyrrole-3-carboxamide
CID 57029978
3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53412873
4-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyridin-2-one
CID 56927226
2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid
CID 68833943
2-fluoro-3-phenylpyridine-4-carboxylic acid
CID 46314938
9-oxo-1,4-diphenylfluorene-3-carboxylic acid
CID 141295557

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid (CID 46314978) is 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid is O=C(O)c1cc[nH]c(=O)c1-c1ccccc1.
What is the InChIKey of 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid?
The InChIKey is RLOHCBUEENDBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11-10(8-4-2-1-3-5-8)9(12(15)16)6-7-13-11/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid?
2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 46314978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).