CAS 1352394-36-5

4-Bromo-6-fluoro-1H-indole-3-carboxylic acid

Description:

4-Bromo-6-fluoro-1H-indole-3-carboxylic acid 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 bromine and fluorine substituents at the 4 and 6 positions, respectively, contributes to its unique reactivity and potential applications in medicinal chemistry. This compound features a carboxylic acid functional group at the 3 position, which enhances its acidity and solubility in polar solvents. The presence of halogens can influence the compound's electronic properties, making it a candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the indole moiety is known for its biological significance, often serving as a scaffold in drug development. The compound's molecular structure suggests potential interactions with biological targets, making it of interest in pharmaceutical research. Its CAS number, 1352394-36-5, allows for easy identification and retrieval of information in chemical databases.

Formula: C₉H₅BrFNO₂

InChI: InChI=1S/C9H5BrFNO2/c10-6-1-4(11)2-7-8(6)5(3-12-7)9(13)14/h1-3,12H,(H,13,14)

InChI key: InChIKey=ZPGLVTIKKLNEHV-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=2C(=CC(F)=CC2Br)NC1

Synonyms:

• 4-Bromo-6-fluoro-1H-indole-3-carboxylic acid
• 1H-Indole-3-carboxylic acid, 4-bromo-6-fluoro-