3-Cyanoindole

• CAT Number: L016975
• CAS Number: 5457-28-3
• Molecular Formula: C9H6N2
• Molecular Weight: 142.16
• Purity: ≥95%
• IUPAC Name: 1H-indole-3-carbonitrile
• InChI: InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
• InChIKey: CHIFTAQVXHNVRW-UHFFFAOYSA-N
• SMILES: C1=CC=C2C(=C1)C(=CN2)C#N

3-Cyanoindole(CAT: L016975) is a functionalized indole derivative featuring a cyano group (-CN) at the 3-position of the indole ring. This compound serves as a versatile intermediate in pharmaceutical, agrochemical, and materials chemistry, owing to the indole’s bioactive core and the electrophilic nature of the cyano substituent. The molecule is frequently employed in the synthesis of heterocycles, kinase inhibitors, and indole-based drug candidates, as the cyano group enables further transformations such as amidation, cyclization, and nucleophilic substitution. 3-Cyanoindole is particularly valuable in structure–activity relationship (SAR) studies and medicinal chemistry programs aiming to develop CNS-active and anticancer agents.