CAS 1256818-09-3

Methyl 4-ethynyl-3-pyridinecarboxylate

Description:

Methyl 4-ethynyl-3-pyridinecarboxylate is an organic compound characterized by its pyridine ring, which is a six-membered aromatic heterocycle containing one nitrogen atom. This compound features an ethynyl group, which is a terminal alkyne, contributing to its reactivity and potential applications in organic synthesis. The presence of the carboxylate group indicates that it can participate in various chemical reactions, such as esterification and nucleophilic substitutions. Methyl 4-ethynyl-3-pyridinecarboxylate is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents, making it useful in various chemical reactions and applications, including pharmaceuticals and agrochemicals. The compound's structure allows for potential interactions with biological systems, which may be explored in medicinal chemistry. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks or environmental hazards.

Formula: C₉H₇NO₂

InChI: InChI=1S/C9H7NO2/c1-3-7-4-5-10-6-8(7)9(11)12-2/h1,4-6H,2H3

InChI key: InChIKey=GHAVPQVKCBURBD-UHFFFAOYSA-N

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

Synonyms:

• Methyl 4-ethynyl-3-pyridinecarboxylate
• 3-Pyridinecarboxylic acid, 4-ethynyl-, methyl ester