CAS 1227571-85-8

5-Chloro-7-fluoro-1H-indole-3-acetonitrile

Description:

5-Chloro-7-fluoro-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 chlorine and fluorine substituents at the 5 and 7 positions, respectively, contributes to its unique reactivity and potential biological activity. The acetonitrile functional group at the 3-position enhances its polar character, making it soluble in various organic solvents. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. Its molecular structure suggests potential interactions with biological targets, which could be explored in research settings. Additionally, the presence of halogens often influences the compound's stability, lipophilicity, and overall chemical behavior. As with many indole derivatives, it may also participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, which are important in synthetic organic chemistry. Safety and handling precautions should be observed due to the presence of halogenated groups, which can pose health risks.

Formula: C₁₀H₆ClFN₂

InChI: InChI=1S/C10H6ClFN2/c11-7-3-8-6(1-2-13)5-14-10(8)9(12)4-7/h3-5,14H,1H2

InChI key: InChIKey=BVLCEJSAHZFHSI-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=2C(=C(F)C=C(Cl)C2)NC1

Synonyms:

• 1H-Indole-3-acetonitrile, 5-chloro-7-fluoro-
• 5-Chloro-7-fluoro-1H-indole-3-acetonitrile