CAS 875306-19-7

5-(Trifluoromethyl)-1H-indole-7-carboxylic acid

Description:

5-(Trifluoromethyl)-1H-indole-7-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 a trifluoromethyl group (-CF3) at the 5-position enhances its lipophilicity and can influence its biological activity, making it a subject of interest in medicinal chemistry. The carboxylic acid functional group at the 7-position contributes to its acidity and potential for forming hydrogen bonds, which can be crucial for interactions with biological targets. This compound may exhibit unique properties due to the electron-withdrawing nature of the trifluoromethyl group, potentially affecting its reactivity and solubility. Additionally, it may serve as a building block in the synthesis of more complex molecules or as a pharmacophore in drug development. Its CAS number, 875306-19-7, allows for precise identification in chemical databases and literature. Overall, this compound's structural features suggest potential applications in pharmaceuticals and agrochemicals.

Formula: C₁₀H₆F₃NO₂

InChI: InChI=1S/C10H6F3NO2/c11-10(12,13)6-3-5-1-2-14-8(5)7(4-6)9(15)16/h1-4,14H,(H,15,16)

InChI key: InChIKey=MEAOZPVNHLARQW-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C2C(=CC(C(F)(F)F)=C1)C=CN2

Synonyms:

• 5-Trifluoromethyl-1H-indole-7-carboxylic acid
• 5-(Trifluoromethyl)-1H-indole-7-carboxylic acid
• 1H-Indole-7-carboxylic acid, 5-(trifluoromethyl)-