CAS 1187168-27-9

4-(2-Methyl-4-pyridinyl)benzonitrile

Description:

4-(2-Methyl-4-pyridinyl)benzonitrile, identified by its CAS number 1187168-27-9, is an organic compound characterized by its aromatic structure, which includes a benzonitrile moiety and a pyridine ring. This compound features a pyridine ring substituted with a methyl group at the 2-position and is attached to a benzonitrile group, which consists of a benzene ring bonded to a nitrile functional group. The presence of the nitrile group contributes to its potential reactivity and solubility properties. Typically, compounds like this may exhibit biological activity, making them of interest in pharmaceutical research. The molecular structure suggests that it may participate in various chemical reactions, including nucleophilic substitutions or electrophilic aromatic substitutions, depending on the reaction conditions. Additionally, its physical properties, such as melting point, boiling point, and solubility, would be influenced by the specific arrangement of its functional groups and the overall molecular geometry. As with many organic compounds, safety data and handling precautions should be considered when working with this substance.

Formula: C₁₃H₁₀N₂

InChI: InChI=1S/C13H10N2/c1-10-8-13(6-7-15-10)12-4-2-11(9-14)3-5-12/h2-8H,1H3

InChI key: InChIKey=NZVRMPFSEYNKMT-UHFFFAOYSA-N

SMILES: CC1=CC(=CC=N1)C2=CC=C(C#N)C=C2

Synonyms:

• Benzonitrile, 4-(2-methyl-4-pyridinyl)-
• 4-(2-Methyl-4-pyridinyl)benzonitrile