2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid

C13H11NO3 — CID 131870509

IUPAC2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c(=O)c(-c2ccccc2)c1
InChIInChI=1S/C13H11NO3/c15-12(16)7-9-6-11(13(17)14-8-9)10-4-2-1-3-5-10/h1-6,8H,7H2,(H,14,17)(H,15,16)
InChIKeySDTSACBYZNEZOL-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.67
Rot. Bonds3

About 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid

2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid (PubChem CID 131870509) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid
PubChem CID131870509
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c(=O)c(-c2ccccc2)c1
InChIInChI=1S/C13H11NO3/c15-12(16)7-9-6-11(13(17)14-8-9)10-4-2-1-3-5-10/h1-6,8H,7H2,(H,14,17)(H,15,16)
InChIKeySDTSACBYZNEZOL-UHFFFAOYSA-N
XLogP1.67
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridin-3-yl]acetic acid
CID 133092620
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-(3,4-difluoro-5-phenylphenyl)acetic acid
CID 117372910
5-[2-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 53222733
2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
CID 175958924
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid
CID 131870512
2-(6-amino-5-phenyl-3-pyridinyl)acetic acid
CID 119010106
5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091674
N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683747

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid?
The IUPAC name of 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid (CID 131870509) is 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid is O=C(O)Cc1c[nH]c(=O)c(-c2ccccc2)c1.
What is the InChIKey of 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid?
The InChIKey is SDTSACBYZNEZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12(16)7-9-6-11(13(17)14-8-9)10-4-2-1-3-5-10/h1-6,8H,7H2,(H,14,17)(H,15,16).
What are the key properties of 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid?
2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid has a molecular weight of 229.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid is sourced from PubChem (CID 131870509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).