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

C13H11NO3 — CID 131870512

IUPAC2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H11NO3/c15-12(16)8-10-6-7-11(13(17)14-10)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyIJKASOHKRNZZLZ-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.67
Rot. Bonds3

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

2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid (PubChem CID 131870512) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid
PubChem CID131870512
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H11NO3/c15-12(16)8-10-6-7-11(13(17)14-10)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyIJKASOHKRNZZLZ-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 ≤ 500229.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid?
The IUPAC name of 2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid (CID 131870512) is 2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid is O=C(O)Cc1ccc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid?
The InChIKey is IJKASOHKRNZZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12(16)8-10-6-7-11(13(17)14-10)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,15,16).
What are the key properties of 2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid?
2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid has a molecular weight of 229.23 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-2-yl)acetic acid is sourced from PubChem (CID 131870512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).