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

C10H13NO3 — CID 15641805

IUPAC6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(C)C)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H13NO3/c1-5(2)7-4-6(3)11-9(12)8(7)10(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyXDKJFRABIUNFSG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.50
Rot. Bonds2

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

6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid (PubChem CID 15641805) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid
PubChem CID15641805
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(C)C)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H13NO3/c1-5(2)7-4-6(3)11-9(12)8(7)10(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyXDKJFRABIUNFSG-UHFFFAOYSA-N
XLogP1.50
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-oxo-4-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid (CID 15641805) is 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid is Cc1cc(C(C)C)c(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid?
The InChIKey is XDKJFRABIUNFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-5(2)7-4-6(3)11-9(12)8(7)10(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid?
6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 15641805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).