CAS 1260383-12-7

Methyl 5-iodo-1H-indole-7-carboxylate

Description:

Methyl 5-iodo-1H-indole-7-carboxylate 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 iodine atom at the 5-position of the indole ring introduces unique reactivity and properties, such as increased electrophilicity, which can be exploited in various chemical reactions. The carboxylate group at the 7-position, esterified with a methyl group, enhances its solubility in organic solvents and can participate in nucleophilic substitution reactions. This compound is of interest in medicinal chemistry and organic synthesis, particularly for the development of pharmaceuticals and agrochemicals. Its molecular structure allows for potential interactions with biological targets, making it a candidate for further research in drug discovery. Additionally, the compound's stability and reactivity can be influenced by the presence of the iodine atom, which may affect its behavior in different chemical environments. Overall, Methyl 5-iodo-1H-indole-7-carboxylate is a versatile compound with significant implications in synthetic and medicinal chemistry.

Formula: C₁₀H₈INO₂

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

InChI key: InChIKey=RHUBBOICESAOCN-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C2C(=CC(I)=C1)C=CN2

Synonyms:

• 1H-Indole-7-carboxylic acid, 5-iodo-, methyl ester
• Methyl 5-iodo-1H-indole-7-carboxylate