CAS 1227577-21-0

5-Bromo-4-hydroxy-1H-indole-3-acetonitrile

Description:

5-Bromo-4-hydroxy-1H-indole-3-acetonitrile is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of a bromine atom at the 5-position and a hydroxy group at the 4-position contributes to its reactivity and potential biological activity. The acetonitrile group at the 3-position introduces a nitrile functional group, which can participate in various chemical reactions, including nucleophilic additions. This compound may exhibit properties such as solubility in polar organic solvents and potential interactions with biological systems, making it of interest in medicinal chemistry and research. Its unique structure suggests possible applications in pharmaceuticals, particularly in the development of compounds with antimicrobial or anticancer properties. As with many indole derivatives, it may also be involved in various synthetic pathways, allowing for further functionalization and exploration of its chemical behavior. Safety and handling precautions should be observed due to the presence of bromine and the potential toxicity of nitriles.

Formula: C₁₀H₇BrN₂O

InChI: InChI=1S/C10H7BrN2O/c11-7-1-2-8-9(10(7)14)6(3-4-12)5-13-8/h1-2,5,13-14H,3H2

InChI key: InChIKey=BJZIQWWKCAUQOA-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=2C(NC1)=CC=C(Br)C2O

Synonyms:

• 1H-Indole-3-acetonitrile, 5-bromo-4-hydroxy-
• 5-Bromo-4-hydroxy-1H-indole-3-acetonitrile