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CAS 885949-47-3

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Methyl 3,5-diiodo-1H-indole-2-carboxylate

Description:
Methyl 3,5-diiodo-1H-indole-2-carboxylate is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. The presence of two iodine atoms at the 3 and 5 positions of the indole ring significantly influences its reactivity and physical properties, such as increased molecular weight and potential for halogen bonding. The carboxylate group at the 2 position, esterified with a methyl group, enhances its solubility in organic solvents and may affect its biological activity. This compound is of interest in medicinal chemistry and materials science due to its potential applications in drug development and as a building block for synthesizing more complex molecules. Its iodine substituents can also impart unique electronic properties, making it suitable for various chemical reactions, including electrophilic substitutions. Safety and handling precautions should be observed due to the presence of halogens, which can pose health risks.
Formula:C10H7I2NO2
InChI:InChI=1S/C10H7I2NO2/c1-15-10(14)9-8(12)6-4-5(11)2-3-7(6)13-9/h2-4,13H,1H3
InChI key:InChIKey=DSDHHKFKQJKTNJ-UHFFFAOYSA-N
SMILES:IC=1C=2C(NC1C(OC)=O)=CC=C(I)C2
Synonyms:
  • Methyl 3,5-diiodo-1H-indole-2-carboxylate
  • 1H-Indole-2-carboxylic acid, 3,5-diiodo-, methyl ester
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