CAS 885266-70-6

1-(Cyanomethyl)-1H-indole-6-carboxylic acid

Description:

1-(Cyanomethyl)-1H-indole-6-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. This compound features a cyanomethyl group (-CH2-CN) and a carboxylic acid group (-COOH) attached to the indole framework, contributing to its reactivity and potential applications in organic synthesis and medicinal chemistry. The presence of the cyanomethyl group may enhance its ability to participate in nucleophilic reactions, while the carboxylic acid group can engage in hydrogen bonding and serve as a site for further functionalization. The compound is likely to be a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid. Its unique structure suggests potential biological activity, making it a candidate for further research in drug development or as a building block in the synthesis of more complex molecules. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₁H₈N₂O₂

InChI: InChI=1S/C11H8N2O2/c12-4-6-13-5-3-8-1-2-9(11(14)15)7-10(8)13/h1-3,5,7H,6H2,(H,14,15)

InChI key: InChIKey=HOZVCQVCRNSXNF-UHFFFAOYSA-N

SMILES: C(C#N)N1C=2C(C=C1)=CC=C(C(O)=O)C2

Synonyms:

• 1H-Indole-6-carboxylic acid, 1-(cyanomethyl)-
• 1-(Cyanomethyl)-1H-indole-6-carboxylic acid

1-(Cyanomethyl)-1H-indole-6-carboxylic acid

Controlled Product

CAS: 885266-70-6

Formula: C₁₁H₈N₂O₂

Color and Shape: Neat

Molecular weight: 200.193

Ref: TR-C885260