CAS 1227048-81-8

Methyl 2-amino-5-cyano-3-pyridinecarboxylate

Description:

Methyl 2-amino-5-cyano-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 group, an amino group, and a cyano group, contributing to its reactivity and potential applications in organic synthesis and medicinal chemistry. The presence of the cyano group indicates that it may participate in nucleophilic reactions, while the amino group can act as a site for further functionalization. Methyl esters, like this compound, are often used in various chemical reactions, including esterification and amidation. The compound's molecular structure suggests it may exhibit polar characteristics, influencing its solubility in polar solvents. Additionally, the presence of multiple functional groups may impart biological activity, making it a candidate for further investigation in drug development or as an intermediate in the synthesis of more complex molecules. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₈H₇N₃O₂

InChI: InChI=1S/C8H7N3O2/c1-13-8(12)6-2-5(3-9)4-11-7(6)10/h2,4H,1H3,(H2,10,11)

InChI key: InChIKey=YXRKEGJJWJLXNA-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(C#N)C=NC1N

Synonyms:

• 3-Pyridinecarboxylic acid, 2-amino-5-cyano-, methyl ester
• Methyl 2-amino-5-cyano-3-pyridinecarboxylate