6-methyl-2-oxo-3H-pyridine-4-carboxylic acid

C7H7NO3 — CID 91192989

IUPAC6-methyl-2-oxo-3H-pyridine-4-carboxylic acid
SMILESCC1=NC(=O)CC(C(=O)O)=C1
InChIInChI=1S/C7H7NO3/c1-4-2-5(7(10)11)3-6(9)8-4/h2H,3H2,1H3,(H,10,11)
InChIKeyGGLLHHZAUBKQIZ-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.39
Rot. Bonds1

About 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid

6-methyl-2-oxo-3H-pyridine-4-carboxylic acid (PubChem CID 91192989) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-3H-pyridine-4-carboxylic acid
PubChem CID91192989
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name6-methyl-2-oxo-3H-pyridine-4-carboxylic acid
SMILESCC1=NC(=O)CC(C(=O)O)=C1
InChIInChI=1S/C7H7NO3/c1-4-2-5(7(10)11)3-6(9)8-4/h2H,3H2,1H3,(H,10,11)
InChIKeyGGLLHHZAUBKQIZ-UHFFFAOYSA-N
XLogP0.39
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-oxo-3H-pyridine-4-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

2-Oxo-2,3-dihydropyridine-4-carboxylic acid
CID 18524579
Quinoline-4-carboxylic acid, 2,3-dihydro-2-oxo-
CID 604972
6-methyl-2-oxo-3H-pyridine-5-carboxylic acid
CID 91210006
3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylic acid
CID 74219387

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid (CID 91192989) is 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid is CC1=NC(=O)CC(C(=O)O)=C1.
What is the InChIKey of 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid?
The InChIKey is GGLLHHZAUBKQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-2-5(7(10)11)3-6(9)8-4/h2H,3H2,1H3,(H,10,11).
What are the key properties of 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid?
6-methyl-2-oxo-3H-pyridine-4-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-3H-pyridine-4-carboxylic acid is sourced from PubChem (CID 91192989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).