6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid

C8H7NO4 — CID 142838531

IUPAC6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(C=O)[nH]c1=O
InChIInChI=1S/C8H7NO4/c1-4-6(8(12)13)2-5(3-10)9-7(4)11/h2-3H,1H3,(H,9,11)(H,12,13)
InChIKeyWERXJKZZYVXVEC-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.19
Rot. Bonds2

About 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid

6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 142838531) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID142838531
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(C=O)[nH]c1=O
InChIInChI=1S/C8H7NO4/c1-4-6(8(12)13)2-5(3-10)9-7(4)11/h2-3H,1H3,(H,9,11)(H,12,13)
InChIKeyWERXJKZZYVXVEC-UHFFFAOYSA-N
XLogP0.19
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-formyl-3-methyl-2-oxo-1H-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

4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde
CID 118818290
4-formyl-3,5-dimethylphthalic acid
CID 121217143
2-oxo-6-prop-1-enyl-1H-pyridine-3-carboxylic acid
CID 131888408
3-chloro-5-formyl-1H-pyrrole-2-carboxylic acid
CID 86644902
4-formyl-2-hydroxy-5-methylbenzoic acid
CID 170993830
5-formyl-2-hydroxy-3,4-dimethylbenzoic acid
CID 87724241
5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553133
2,3-dimethylterephthalic acid
CID 158313107
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
4-chloro-5,6-dimethylbenzene-1,3-dicarboxylic acid
CID 174519549
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
5-(difluoromethoxy)-2-formyl-3-methylbenzoic acid
CID 171032097

Frequently Asked Questions

What is the IUPAC name of 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid (CID 142838531) is 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid is Cc1c(C(=O)O)cc(C=O)[nH]c1=O.
What is the InChIKey of 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is WERXJKZZYVXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c1-4-6(8(12)13)2-5(3-10)9-7(4)11/h2-3H,1H3,(H,9,11)(H,12,13).
What are the key properties of 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid?
6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 181.15 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-3-methyl-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 142838531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).