2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid

C13H11NO3 — CID 82391091

IUPAC2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cccc(-c2[nH]c(=O)ccc2C(=O)O)c1
InChIInChI=1S/C13H11NO3/c1-8-3-2-4-9(7-8)12-10(13(16)17)5-6-11(15)14-12/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyLOHFBVGPHPYELJ-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.05
Rot. Bonds2

About 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid

2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82391091) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82391091
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cccc(-c2[nH]c(=O)ccc2C(=O)O)c1
InChIInChI=1S/C13H11NO3/c1-8-3-2-4-9(7-8)12-10(13(16)17)5-6-11(15)14-12/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyLOHFBVGPHPYELJ-UHFFFAOYSA-N
XLogP2.05
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylphenyl)-6-oxo-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

Related Compounds

6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 83711439
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
4-(3-methylphenyl)thiophene-3-carboxylic acid
CID 83234591
6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 114872883
3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid
CID 170962767
4-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 45496738
2-bromo-6-oxo-1H-pyridine-3-carboxylic acid
CID 119010180
2-(3-methylphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 118125586
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3667771

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 82391091) is 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid is Cc1cccc(-c2[nH]c(=O)ccc2C(=O)O)c1.
What is the InChIKey of 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is LOHFBVGPHPYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-8-3-2-4-9(7-8)12-10(13(16)17)5-6-11(15)14-12/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82391091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).