3-methyl-6-oxo-1H-pyridine-2-carboxylic acid

C7H7NO3 — CID 14133207

IUPAC3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1ccc(=O)[nH]c1C(=O)O
InChIInChI=1S/C7H7NO3/c1-4-2-3-5(9)8-6(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyWDZFYBWSAROMOO-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.38
Rot. Bonds1

About 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid

3-methyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 14133207) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID14133207
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1ccc(=O)[nH]c1C(=O)O
InChIInChI=1S/C7H7NO3/c1-4-2-3-5(9)8-6(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyWDZFYBWSAROMOO-UHFFFAOYSA-N
XLogP0.38
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-6-oxo-1H-pyridine-2-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 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 14133207) is 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid is Cc1ccc(=O)[nH]c1C(=O)O.
What is the InChIKey of 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is WDZFYBWSAROMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-2-3-5(9)8-6(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
3-methyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 14133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).