2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid

C9H11NO4 — CID 82399157

IUPAC2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOCc1[nH]c(=O)cc(C)c1C(=O)O
InChIInChI=1S/C9H11NO4/c1-5-3-7(11)10-6(4-14-2)8(5)9(12)13/h3H,4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPNWLUJIQAJNVIX-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.53
Rot. Bonds3

About 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid

2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82399157) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82399157
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOCc1[nH]c(=O)cc(C)c1C(=O)O
InChIInChI=1S/C9H11NO4/c1-5-3-7(11)10-6(4-14-2)8(5)9(12)13/h3H,4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPNWLUJIQAJNVIX-UHFFFAOYSA-N
XLogP0.53
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methoxymethyl)-4-methyl-6-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

2,4-Dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 3446564
Ethyl 2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 2785599
4-methyl-6-oxo-1H-pyridine-2,3-dicarboxylic acid
CID 23469803
methyl 2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylate
CID 53637989
2-(methoxymethyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 54183317
2-Hydroxy-6-(methoxycarbonyl)isonicotinic acid
CID 57513097
4,6-Dihydroxy-2-methoxymethyl-nicotinic Acid Methyl Ester
CID 57561056
4-O-butyl 2-O-methyl 6-oxo-1H-pyridine-2,4-dicarboxylate
CID 67508241
3-butoxy-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid
CID 71163572
4-hydroxy-2-(methoxymethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 140200847
3-ethoxycarbonyl-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
CID 174454709
Methyl 2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 12481733

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid (CID 82399157) is 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid is COCc1[nH]c(=O)cc(C)c1C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is PNWLUJIQAJNVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-5-3-7(11)10-6(4-14-2)8(5)9(12)13/h3H,4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82399157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).