CAS 889942-77-2

4-Methyl-1H-indole-3-carbonitrile

Description:

4-Methyl-1H-indole-3-carbonitrile, with the CAS number 889942-77-2, is an organic compound that belongs to the indole family, characterized by a bicyclic structure consisting of a fused benzene and pyrrole ring. This compound features a methyl group at the 4-position and a cyano group at the 3-position of the indole ring, which contributes to its chemical reactivity and potential applications. It is typically a solid at room temperature and may exhibit properties such as moderate solubility in organic solvents. The presence of the cyano group enhances its utility in various chemical reactions, including nucleophilic additions and as a building block in the synthesis of more complex molecules. Additionally, compounds like 4-Methyl-1H-indole-3-carbonitrile are of interest in medicinal chemistry due to their potential biological activities, including antimicrobial and anticancer properties. As with many indole derivatives, it may also participate in π-π stacking interactions, which can influence its behavior in biological systems and materials science.

Formula: C₁₀H₈N₂

InChI: InChI=1S/C10H8N2/c1-7-3-2-4-9-10(7)8(5-11)6-12-9/h2-4,6,12H,1H3

InChI key: InChIKey=RNMNPUCOFMWLLO-UHFFFAOYSA-N

SMILES: C(#N)C=1C=2C(NC1)=CC=CC2C

Synonyms:

• 4-Methyl-1H-indole-3-carbonitrile
• 1H-Indole-3-carbonitrile, 4-methyl-
• 4-Methylindole-3-carbonitrile