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

C10H13NO3 — CID 30029751

IUPAC6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C(C)C
InChIInChI=1S/C10H13NO3/c1-6(2)11-7(3)4-5-8(9(11)12)10(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyZZRIBMMGLMMIHQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.44
Rot. Bonds2

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

6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 30029751) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
PubChem CID30029751
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C(C)C
InChIInChI=1S/C10H13NO3/c1-6(2)11-7(3)4-5-8(9(11)12)10(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyZZRIBMMGLMMIHQ-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-oxo-1-propan-2-ylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid (CID 30029751) is 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1C(C)C.
What is the InChIKey of 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is ZZRIBMMGLMMIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(2)11-7(3)4-5-8(9(11)12)10(13)14/h4-6H,1-3H3,(H,13,14).
What are the key properties of 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 30029751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).