CAS 885949-68-8

3-Pyridinecarbonitrile, 2-(1-heptyn-1-yl)-

Description:

3-Pyridinecarbonitrile, 2-(1-heptyn-1-yl)-, with the CAS number 885949-68-8, is an organic compound characterized by its pyridine ring and a carbonitrile functional group. The structure features a heptyne chain, which is a seven-carbon alkyne, attached to the pyridine ring at the 2-position. This compound is likely to exhibit properties typical of both pyridine derivatives and alkynes, including potential aromaticity due to the pyridine moiety. It may be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The presence of the carbonitrile group suggests it could participate in nucleophilic reactions, while the alkyne chain may provide sites for further chemical modifications. Additionally, the compound may exhibit biological activity, making it of interest in medicinal chemistry and material science. Its solubility and reactivity would depend on the solvent and conditions used, as well as the presence of functional groups that could influence intermolecular interactions.

Formula: C₁₃H₁₄N₂

InChI: InChI=1S/C13H14N2/c1-2-3-4-5-6-9-13-12(11-14)8-7-10-15-13/h7-8,10H,2-5H2,1H3

InChI key: InChIKey=MNLLOCXHRPLHBA-UHFFFAOYSA-N

SMILES: C(#CCCCCC)C1=C(C#N)C=CC=N1

Synonyms:

• 3-Pyridinecarbonitrile, 2-(1-heptyn-1-yl)-
• 3-Pyridinecarbonitrile, 2-(1-heptynyl)-
• 2-(1-Heptynyl)nicotinonitrile
• 2-(Hept-1-yn-1-yl)pyridine-3-carbonitrile
• 2-Hept-1-ynylpyridine-3-carbonitrile