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

C7H7NO3 — CID 85439143

IUPAC4-methyl-2-oxo-3H-pyridine-3-carboxylic acid
SMILESCC1=CC=NC(=O)C1C(=O)O
InChIInChI=1S/C7H7NO3/c1-4-2-3-8-6(9)5(4)7(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyVYQFMGBCTFHTSL-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.24
Rot. Bonds1

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

4-methyl-2-oxo-3H-pyridine-3-carboxylic acid (PubChem CID 85439143) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-methyl-2-oxo-3H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-3H-pyridine-3-carboxylic acid
PubChem CID85439143
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-methyl-2-oxo-3H-pyridine-3-carboxylic acid
SMILESCC1=CC=NC(=O)C1C(=O)O
InChIInChI=1S/C7H7NO3/c1-4-2-3-8-6(9)5(4)7(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyVYQFMGBCTFHTSL-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride
CID 76847940
2,5-dimethylcyclopenta-2,4-diene-1-carboxamide
CID 101214763
4-methyl-6-oxo-3H-pyridine-3-carboxylic acid
CID 85437621
(8aS)-1-oxo-8aH-isoquinoline-6-carboxylic acid
CID 129407549
2,3-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylic acid
CID 13379353
2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid
CID 20537883
5-iodo-6-methyl-4-oxo-3H-pyridine-3-carboxylic acid
CID 73430231
3,4,10,11-tetramethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7-carboxylic acid
CID 171984180
2-methyl-4-oxo-1,3-thiazole-5-carboxylic acid
CID 130770945
4-methyl-5-oxopyrazole-3-carboxylic acid
CID 66769909
2-amino-4-methylcyclohexa-1,4-diene-1,3-dicarboxylic acid
CID 159773640
3-methyl-5-oxocyclohex-3-ene-1-carboxylic acid
CID 13053305

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-3H-pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-3H-pyridine-3-carboxylic acid (CID 85439143) is 4-methyl-2-oxo-3H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-3H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-3H-pyridine-3-carboxylic acid is CC1=CC=NC(=O)C1C(=O)O.
What is the InChIKey of 4-methyl-2-oxo-3H-pyridine-3-carboxylic acid?
The InChIKey is VYQFMGBCTFHTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-2-3-8-6(9)5(4)7(10)11/h2-3,5H,1H3,(H,10,11).
What are the key properties of 4-methyl-2-oxo-3H-pyridine-3-carboxylic acid?
4-methyl-2-oxo-3H-pyridine-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-3H-pyridine-3-carboxylic acid is sourced from PubChem (CID 85439143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).