CAS 1019022-50-4

5-Chloro-β-oxo-2-pyridinepropanal

Description:

5-Chloro-β-oxo-2-pyridinepropanal is a chemical compound characterized by its pyridine ring, which is a six-membered aromatic heterocycle containing one nitrogen atom. The presence of a chloro substituent indicates that a chlorine atom is attached to the fifth position of the pyridine ring, influencing the compound's reactivity and polarity. The β-oxo group suggests that there is a carbonyl (C=O) functionality adjacent to a carbon atom that is also part of the propanal structure, which is an aldehyde with a three-carbon chain. This configuration can impart unique chemical properties, such as the ability to participate in various reactions, including nucleophilic additions and condensation reactions. The compound's molecular structure contributes to its potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Additionally, the presence of both the chloro and carbonyl groups can enhance its biological activity, making it a subject of interest in medicinal chemistry. Overall, 5-Chloro-β-oxo-2-pyridinepropanal exhibits a combination of aromaticity, functional group reactivity, and structural diversity.

Formula: C₈H₆ClNO₂

InChI: InChI=1S/C8H6ClNO2/c9-6-1-2-7(10-5-6)8(12)3-4-11/h1-2,4-5H,3H2

InChI key: InChIKey=UUQRTKMNGHXCOV-UHFFFAOYSA-N

SMILES: C(CC=O)(=O)C1=CC=C(Cl)C=N1

Synonyms:

• 2-Pyridinepropanal, 5-chloro-β-oxo-
• 5-Chloro-β-oxo-2-pyridinepropanal