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

C9H11NO3 — CID 71327507

IUPAC2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H11NO3/c1-5(2)7-3-6(9(12)13)4-8(11)10-7/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyRWCQHNDCYHNDGW-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.20
Rot. Bonds2

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

2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid (PubChem CID 71327507) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid
PubChem CID71327507
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H11NO3/c1-5(2)7-3-6(9(12)13)4-8(11)10-7/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyRWCQHNDCYHNDGW-UHFFFAOYSA-N
XLogP1.20
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-oxo-6-propan-2-yl-1H-pyridine-4-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 2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid (CID 71327507) is 2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid is CC(C)c1cc(C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid?
The InChIKey is RWCQHNDCYHNDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5(2)7-3-6(9(12)13)4-8(11)10-7/h3-5H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid?
2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propan-2-yl-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 71327507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).