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

C9H9NO4 — CID 13232040

IUPAC5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)c(=O)[nH]c1C
InChIInChI=1S/C9H9NO4/c1-4-6(5(2)11)3-7(9(13)14)8(12)10-4/h3H,1-2H3,(H,10,12)(H,13,14)
InChIKeyHOSMSJUGKUGGDS-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.58
Rot. Bonds2

About 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid

5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 13232040) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID13232040
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)c(=O)[nH]c1C
InChIInChI=1S/C9H9NO4/c1-4-6(5(2)11)3-7(9(13)14)8(12)10-4/h3H,1-2H3,(H,10,12)(H,13,14)
InChIKeyHOSMSJUGKUGGDS-UHFFFAOYSA-N
XLogP0.58
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-acetyl-6-methyl-2-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

5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 3152509
4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 247444
2-oxo-1H,2H,5H,6H,7H-cyclopenta(b)pyridine-3-carboxylic acid
CID 6484274
2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 13535385
2-Oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid
CID 13543670
Methyl 5-acetyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate
CID 2289888
6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 13543671
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid
CID 277833
U 56324
CID 156354
6-(2-Methylpropyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 223263
6-(2-methylbutan-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 13543674
6-Ethyl-2-hydroxy-5-methyl-3-pyridinecarboxylic acid
CID 18524021

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 13232040) is 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid is CC(=O)c1cc(C(=O)O)c(=O)[nH]c1C.
What is the InChIKey of 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is HOSMSJUGKUGGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-4-6(5(2)11)3-7(9(13)14)8(12)10-4/h3H,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 13232040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).