6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid

C15H12ClNO3 — CID 82519288

IUPAC6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2)n(C2CC2)c1=O
InChIInChI=1S/C15H12ClNO3/c16-10-3-1-9(2-4-10)13-8-7-12(15(19)20)14(18)17(13)11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,20)
InChIKeyNVJQEWLBGDIUCT-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.20
Rot. Bonds3

About 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid

6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82519288) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
PubChem CID82519288
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2)n(C2CC2)c1=O
InChIInChI=1S/C15H12ClNO3/c16-10-3-1-9(2-4-10)13-8-7-12(15(19)20)14(18)17(13)11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,20)
InChIKeyNVJQEWLBGDIUCT-UHFFFAOYSA-N
XLogP3.20
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-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-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid (CID 82519288) is 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc(Cl)cc2)n(C2CC2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is NVJQEWLBGDIUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-10-3-1-9(2-4-10)13-8-7-12(15(19)20)14(18)17(13)11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,20).
What are the key properties of 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid?
6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 289.72 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82519288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).