CAS 1198016-49-7

2-Pyridinecarboxylic acid, 3-chloro-5-(hydroxymethyl)-, methyl ester

Description:

2-Pyridinecarboxylic acid, 3-chloro-5-(hydroxymethyl)-, methyl ester, identified by its CAS number 1198016-49-7, 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, a methyl ester group, and a hydroxymethyl substituent, contributing to its reactivity and potential applications in organic synthesis. The presence of chlorine at the 3-position of the pyridine ring introduces electrophilic characteristics, making it a useful intermediate in various chemical reactions. The hydroxymethyl group enhances the compound's solubility in polar solvents and may participate in hydrogen bonding, influencing its physical properties. Typically, such compounds exhibit moderate to high polarity, and their melting and boiling points can vary based on the specific substituents and their interactions. Overall, this compound may find applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis due to its diverse functional groups and structural features.

Formula: C₈H₈ClNO₃

InChI: InChI=1S/C8H8ClNO3/c1-13-8(12)7-6(9)2-5(4-11)3-10-7/h2-3,11H,4H2,1H3

InChI key: InChIKey=VPIOCRLBNUDYBP-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(Cl)C=C(CO)C=N1

Synonyms:

• Methyl 3-chloro-5-(hydroxymethyl)-2-pyridinecarboxylate
• 2-Pyridinecarboxylic acid, 3-chloro-5-(hydroxymethyl)-, methyl ester