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

C13H11NO3 — CID 43470471

IUPAC2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1ccccc1=O
InChIInChI=1S/C13H11NO3/c15-12-7-3-4-8-14(12)9-10-5-1-2-6-11(10)13(16)17/h1-8H,9H2,(H,16,17)
InChIKeyCXOTWCQEUCDSLK-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.59
Rot. Bonds3

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

2-[(2-oxo-1-pyridinyl)methyl]benzoic acid (PubChem CID 43470471) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[(2-oxo-1-pyridinyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
PubChem CID43470471
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1ccccc1=O
InChIInChI=1S/C13H11NO3/c15-12-7-3-4-8-14(12)9-10-5-1-2-6-11(10)13(16)17/h1-8H,9H2,(H,16,17)
InChIKeyCXOTWCQEUCDSLK-UHFFFAOYSA-N
XLogP1.59
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 63292697
3-methyl-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114485600
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
2-fluoro-3-[(2-oxo-1-pyridinyl)methyl]benzenecarbothioamide
CID 107115791
2-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid
CID 43415517
2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid
CID 83822306
2-[[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 94745786
2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560539
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 22309095
CID 131887032
CID 131887032
2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 94745787
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
The IUPAC name of 2-[(2-oxo-1-pyridinyl)methyl]benzoic acid (CID 43470471) is 2-[(2-oxo-1-pyridinyl)methyl]benzoic acid.
What is the SMILES notation for 2-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
The canonical SMILES for 2-[(2-oxo-1-pyridinyl)methyl]benzoic acid is O=C(O)c1ccccc1Cn1ccccc1=O.
What is the InChIKey of 2-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
The InChIKey is CXOTWCQEUCDSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-7-3-4-8-14(12)9-10-5-1-2-6-11(10)13(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of 2-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
2-[(2-oxo-1-pyridinyl)methyl]benzoic acid has a molecular weight of 229.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1-pyridinyl)methyl]benzoic acid is sourced from PubChem (CID 43470471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).