5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid

C13H11NO3 — CID 53436945

IUPAC5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cn(-c2ccccc2)c1=O
InChIInChI=1S/C13H11NO3/c1-9-7-10(13(16)17)8-14(12(9)15)11-5-3-2-4-6-11/h2-8H,1H3,(H,16,17)
InChIKeyWQFOMHDTVIEWDT-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.84
Rot. Bonds2

About 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid

5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid (PubChem CID 53436945) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid
PubChem CID53436945
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cn(-c2ccccc2)c1=O
InChIInChI=1S/C13H11NO3/c1-9-7-10(13(16)17)8-14(12(9)15)11-5-3-2-4-6-11/h2-8H,1H3,(H,16,17)
InChIKeyWQFOMHDTVIEWDT-UHFFFAOYSA-N
XLogP1.84
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-6-oxo-1-phenylpyridine-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 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid (CID 53436945) is 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cn(-c2ccccc2)c1=O.
What is the InChIKey of 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
The InChIKey is WQFOMHDTVIEWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-9-7-10(13(16)17)8-14(12(9)15)11-5-3-2-4-6-11/h2-8H,1H3,(H,16,17).
What are the key properties of 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid?
5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 53436945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).