1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid

C10H13NO3 — CID 37134583

IUPAC1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ccc(C(=O)O)c(=O)n1C
InChIInChI=1S/C10H13NO3/c1-6(2)8-5-4-7(10(13)14)9(12)11(8)3/h4-6H,1-3H3,(H,13,14)
InChIKeyJEXDNGUMCMJOBV-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.21
Rot. Bonds2

About 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid

1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 37134583) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid
PubChem CID37134583
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ccc(C(=O)O)c(=O)n1C
InChIInChI=1S/C10H13NO3/c1-6(2)8-5-4-7(10(13)14)9(12)11(8)3/h4-6H,1-3H3,(H,13,14)
InChIKeyJEXDNGUMCMJOBV-UHFFFAOYSA-N
XLogP1.21
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 247444
2-Oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid
CID 13543670
1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 6501006
6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 13543671
1,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 14998715
6-(2-Methylpropyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 223263
1-Methyl-6-(2-methylpropyl)-2-oxopyridine-3-carboxylic acid
CID 13543679
1,2-Dihydro-1,6-dimethyl-2-oxo-4-pyridinecarboxylic acid
CID 68432029
6-(2,2-Dimethylpropyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 13543680
6-(Butan-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 61659036
1,4-Dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 22382023
1-Fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 56609217

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid (CID 37134583) is 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid is CC(C)c1ccc(C(=O)O)c(=O)n1C.
What is the InChIKey of 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is JEXDNGUMCMJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(2)8-5-4-7(10(13)14)9(12)11(8)3/h4-6H,1-3H3,(H,13,14).
What are the key properties of 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid?
1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 37134583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).