2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid

C13H11NO3 — CID 133095787

IUPAC2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C13H11NO3/c15-11-6-10(7-13(16)17)14-12(8-11)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)(H,16,17)
InChIKeyYCPOQRBBRHAHDT-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.67
Rot. Bonds3

About 2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid

2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid (PubChem CID 133095787) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid
PubChem CID133095787
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C13H11NO3/c15-11-6-10(7-13(16)17)14-12(8-11)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)(H,16,17)
InChIKeyYCPOQRBBRHAHDT-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-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid
CID 70131440
2-(6-oxo-5-phenyl-1H-pyridin-2-yl)acetic acid
CID 131870512
3-(hydroxymethyl)-6-phenyl-1H-pyridin-2-one
CID 82521366
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine
CID 101454721
2-phenyl-5-[4-(5-phenyl-1H-pyrrol-2-yl)phenyl]-1H-pyrrole
CID 129072505
2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 54187003
1,2-bis(5-phenyl-1H-pyrrol-2-yl)ethane-1,2-dione;hydrate
CID 139189346
ethane;3-ethyl-6-phenyl-1H-pyridin-2-one
CID 145103811
2-oxo-6-phenyl-1H-pyridine-4-carboxylic acid
CID 18422120
CID 59912313
CID 59912313
3,5-diphenyl-1H-pyrrole-2-carbohydrazide
CID 4617212

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid?
The IUPAC name of 2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid (CID 133095787) is 2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid is O=C(O)Cc1cc(=O)cc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid?
The InChIKey is YCPOQRBBRHAHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11-6-10(7-13(16)17)14-12(8-11)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)(H,16,17).
What are the key properties of 2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid?
2-(4-oxo-6-phenyl-1H-pyridin-2-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-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid is sourced from PubChem (CID 133095787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).