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CAS 850374-98-0

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1H-Indole-6-carboxylic acid, 3-iodo-, methyl ester

Description:
1H-Indole-6-carboxylic acid, 3-iodo-, methyl ester 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 carboxylic acid functional group at the 6-position and an iodine atom at the 3-position, with a methyl ester group attached to the carboxylic acid. The presence of the iodine atom can influence the compound's reactivity and biological activity, often enhancing its potential as a pharmacophore in medicinal chemistry. The methyl ester group typically increases the lipophilicity of the molecule, potentially affecting its solubility and permeability in biological systems. This compound may exhibit various biological activities, making it of interest in pharmaceutical research. Its CAS number, 850374-98-0, allows for easy identification in chemical databases. Overall, the unique structural features of 1H-Indole-6-carboxylic acid, 3-iodo-, methyl ester contribute to its potential applications in drug development and other chemical research fields.
Formula:C10H8INO2
InChI:InChI=1S/C10H8INO2/c1-14-10(13)6-2-3-7-8(11)5-12-9(7)4-6/h2-5,12H,1H3
InChI key:InChIKey=WUFYFIRKVXAESN-UHFFFAOYSA-N
SMILES:IC=1C=2C(=CC(C(OC)=O)=CC2)NC1
Synonyms:
  • 1H-Indole-6-carboxylic acid, 3-iodo-, methyl ester
  • Methyl 3-iodo-6-indolecarboxylate
  • Methyl 3-iodo-1H-indole-6-carboxylate
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