2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid

C18H13NO3 — CID 134324247

IUPAC2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H13NO3/c20-17-16(18(21)22)14(12-7-3-1-4-8-12)11-15(19-17)13-9-5-2-6-10-13/h1-11H,(H,19,20)(H,21,22)
InChIKeyMGBAIPQCIDFEAY-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.41
Rot. Bonds3

About 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid

2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid (PubChem CID 134324247) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
PubChem CID134324247
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H13NO3/c20-17-16(18(21)22)14(12-7-3-1-4-8-12)11-15(19-17)13-9-5-2-6-10-13/h1-11H,(H,19,20)(H,21,22)
InChIKeyMGBAIPQCIDFEAY-UHFFFAOYSA-N
XLogP3.41
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid (CID 134324247) is 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
The InChIKey is MGBAIPQCIDFEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-17-16(18(21)22)14(12-7-3-1-4-8-12)11-15(19-17)13-9-5-2-6-10-13/h1-11H,(H,19,20)(H,21,22).
What are the key properties of 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 134324247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).