4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid

C15H12ClNO4 — CID 150169813

IUPAC4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid
SMILESCc1cc(Cl)c(C(=O)O)c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C15H12ClNO4/c1-9-7-11(16)13(15(20)21)14(19)17(9)8-12(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,20,21)
InChIKeyFJEWFFJCZQOINV-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.39
Rot. Bonds4

About 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid

4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid (PubChem CID 150169813) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid
PubChem CID150169813
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid
SMILESCc1cc(Cl)c(C(=O)O)c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C15H12ClNO4/c1-9-7-11(16)13(15(20)21)14(19)17(9)8-12(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,20,21)
InChIKeyFJEWFFJCZQOINV-UHFFFAOYSA-N
XLogP2.39
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-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 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid (CID 150169813) is 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid is Cc1cc(Cl)c(C(=O)O)c(=O)n1CC(=O)c1ccccc1.
What is the InChIKey of 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid?
The InChIKey is FJEWFFJCZQOINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-9-7-11(16)13(15(20)21)14(19)17(9)8-12(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid?
4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid has a molecular weight of 305.72 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid is sourced from PubChem (CID 150169813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).