CAS 167631-59-6

3-Iodo-1-methyl-1H-indole-2-carboxylic acid

Description:

3-Iodo-1-methyl-1H-indole-2-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 the iodo substituent at the 3-position and a carboxylic acid group at the 2-position contributes to its unique reactivity and potential applications in medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the carboxylic acid functional group. Its molecular structure suggests potential for hydrogen bonding, which can influence its interactions in biological systems. The methyl group at the 1-position can affect the compound's steric and electronic properties, potentially impacting its biological activity. 3-Iodo-1-methyl-1H-indole-2-carboxylic acid may be of interest in the development of pharmaceuticals, particularly in the context of drug design targeting specific biological pathways. As with many indole derivatives, it may also exhibit interesting photophysical properties, making it a candidate for further research in various fields, including organic synthesis and materials science.

Formula: C₁₀H₈INO₂

InChI: InChI=1S/C10H8INO2/c1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14/h2-5H,1H3,(H,13,14)

InChI key: InChIKey=MVKZEMKDJLLFEP-UHFFFAOYSA-N

SMILES: IC=1C=2C(N(C)C1C(O)=O)=CC=CC2

Synonyms:

• 3-Iodo-1-methyl-1H-indole-2-carboxylic acid
• 1H-Indole-2-carboxylic acid, 3-iodo-1-methyl-