CAS 1186663-26-2

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

Description:

3-Bromo-1H-indole-4-carboxylic acid is an organic 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 3-position and a carboxylic acid functional group at the 4-position contributes to its reactivity and potential applications in various chemical reactions. This compound typically exhibits moderate solubility in polar solvents due to the carboxylic acid group, while the indole moiety can participate in hydrogen bonding and π-π stacking interactions. It may also display biological activity, making it of interest in medicinal chemistry and drug development. The compound's molecular structure allows for potential modifications, which can lead to derivatives with enhanced properties. As with many brominated compounds, it may exhibit unique electronic and steric properties that can influence its behavior in chemical reactions and interactions with biological systems. Safety and handling precautions should be observed due to the presence of bromine and the potential for toxicity.

Formula: C₉H₆BrNO₂

InChI: InChI=1S/C9H6BrNO2/c10-6-4-11-7-3-1-2-5(8(6)7)9(12)13/h1-4,11H,(H,12,13)

InChI key: InChIKey=ODMUJAAPJVSJQE-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C2C(=CC=C1)NC=C2Br

Synonyms:

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