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CAS 172595-67-4

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1H-Indole-3-carboxylic acid, 5-chloro-, methyl ester

Description:
1H-Indole-3-carboxylic acid, 5-chloro-, methyl ester, with the CAS number 172595-67-4, 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 that has been esterified with methanol, resulting in a methyl ester. The presence of a chlorine atom at the 5-position of the indole ring introduces unique reactivity and influences its biological properties. Typically, compounds of this nature exhibit a range of biological activities, including potential roles in pharmaceuticals and agrochemicals. The methyl ester form can enhance solubility and bioavailability compared to its acid counterpart. Additionally, the indole moiety is known for its occurrence in various natural products and its significance in medicinal chemistry, particularly in the development of drugs targeting neurological and inflammatory conditions. Overall, this compound's structural features suggest potential applications in research and industry, particularly in the fields of organic synthesis and drug development.
Formula:C10H8ClNO2
InChI:InChI=1S/C10H8ClNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
InChI key:InChIKey=QFNXAQPCYKEICY-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=2C(NC1)=CC=C(Cl)C2
Synonyms:
  • 1H-Indole-3-carboxylic acid, 5-chloro-, methyl ester
  • 5-Chloro-3-methoxycarbonyl-1H-indole
  • Methyl 5-Chloro-1H-Indole-3-Carboxylate
  • Rarechem Al Bf 0763
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