CAS 850864-55-0

3-Pyridinecarboxylic acid, 5-chloro-2-ethyl-, methyl ester

Description:

3-Pyridinecarboxylic acid, 5-chloro-2-ethyl-, methyl ester, identified by the CAS number 850864-55-0, is an organic compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. This compound features a carboxylic acid functional group that is esterified with a methyl group, indicating it is a methyl ester. The presence of a chlorine atom at the 5-position and an ethyl group at the 2-position of the pyridine ring contributes to its unique chemical properties and potential reactivity. Typically, such compounds exhibit moderate polarity due to the carboxylic acid and ester functionalities, which can influence their solubility in various solvents. The chlorine substituent may also impart specific biological activity or influence the compound's interaction with other molecules. Overall, this compound may be of interest in pharmaceutical research, agrochemicals, or as an intermediate in organic synthesis, owing to its structural features and functional groups.

Formula: C₉H₁₀ClNO₂

InChI: InChI=1S/C9H10ClNO2/c1-3-8-7(9(12)13-2)4-6(10)5-11-8/h4-5H,3H2,1-2H3

InChI key: InChIKey=SMBSCRCETRUYSN-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(CC)N=CC(Cl)=C1

Synonyms:

• Methyl 5-chloro-2-ethyl-3-pyridinecarboxylate
• 3-Pyridinecarboxylic acid, 5-chloro-2-ethyl-, methyl ester