CAS 878741-69-6

Methyl 5-(cyanomethyl)-3-pyridinecarboxylate

Description:

Methyl 5-(cyanomethyl)-3-pyridinecarboxylate is a chemical compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. This compound features a carboxylate functional group, which contributes to its reactivity and solubility in polar solvents. The presence of the cyanomethyl group introduces a nitrile functional group, enhancing its potential for nucleophilic reactions and making it useful in various synthetic applications. The methyl ester group provides a means for further functionalization and can influence the compound's physical properties, such as boiling point and solubility. Methyl 5-(cyanomethyl)-3-pyridinecarboxylate is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is important in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Safety data should be consulted for handling, as compounds with nitrile groups can be toxic and require appropriate safety measures during use.

Formula: C₉H₈N₂O₂

InChI: InChI=1S/C9H8N2O2/c1-13-9(12)8-4-7(2-3-10)5-11-6-8/h4-6H,2H2,1H3

InChI key: InChIKey=RBJAQSLLEUBQDY-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(CC#N)C=NC1

Synonyms:

• 3-Pyridinecarboxylic acid, 5-(cyanomethyl)-, methyl ester
• Methyl 5-(cyanomethyl)-3-pyridinecarboxylate