4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid

C19H15NO3 — CID 24730427

IUPAC4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(-c3ccccc3)cccc2=O)cc1
InChIInChI=1S/C19H15NO3/c21-18-8-4-7-17(15-5-2-1-3-6-15)20(18)13-14-9-11-16(12-10-14)19(22)23/h1-12H,13H2,(H,22,23)
InChIKeyKXOLJPZEZQPGQM-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.26
Rot. Bonds4

About 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid

4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid (PubChem CID 24730427) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid
PubChem CID24730427
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(-c3ccccc3)cccc2=O)cc1
InChIInChI=1S/C19H15NO3/c21-18-8-4-7-17(15-5-2-1-3-6-15)20(18)13-14-9-11-16(12-10-14)19(22)23/h1-12H,13H2,(H,22,23)
InChIKeyKXOLJPZEZQPGQM-UHFFFAOYSA-N
XLogP3.26
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one
CID 4676400
6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
CID 4194648
1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 58306715
1-(3-methylbut-2-enyl)-6-phenylpyridin-2-one
CID 3567819
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one
CID 24730405
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile
CID 23269812
2-[(4-carboxyphenyl)methyl]-6-chloro-1-oxo-4-phenylisoquinoline-3-carboxylic acid
CID 23060646
4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 1239283
2-[(4-carboxyphenyl)methyl]-6-methyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid
CID 23060606
1-[(2-chlorophenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile;4-[[3-cyano-2-oxo-6-phenyl-4-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid
CID 160968989

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid?
The IUPAC name of 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid (CID 24730427) is 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid?
The canonical SMILES for 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid is O=C(O)c1ccc(Cn2c(-c3ccccc3)cccc2=O)cc1.
What is the InChIKey of 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid?
The InChIKey is KXOLJPZEZQPGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18-8-4-7-17(15-5-2-1-3-6-15)20(18)13-14-9-11-16(12-10-14)19(22)23/h1-12H,13H2,(H,22,23).
What are the key properties of 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid?
4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid has a molecular weight of 305.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid is sourced from PubChem (CID 24730427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).