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CAS 887578-55-4

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1H-Indole-2-carboxylic acid, 7-chloro-5-fluoro-, ethyl ester

Description:
1H-Indole-2-carboxylic acid, 7-chloro-5-fluoro-, ethyl ester, identified by CAS number 887578-55-4, is a chemical compound that belongs to the indole family, characterized by its bicyclic structure containing a fused benzene and pyrrole ring. This compound features a carboxylic acid functional group, which is esterified with an ethyl group, enhancing its solubility and reactivity. The presence of chlorine and fluorine substituents at the 7 and 5 positions, respectively, introduces unique electronic and steric properties, potentially influencing its biological activity and chemical reactivity. Typically, such compounds are of interest in medicinal chemistry due to their potential pharmacological properties, including antimicrobial and anti-inflammatory activities. The indole moiety is known for its role in various biological systems, making derivatives like this one valuable in drug development. Additionally, the compound's stability, solubility, and reactivity can be influenced by the presence of halogen atoms, which may affect its interactions with biological targets.
Formula:C11H9ClFNO2
InChI:InChI=1S/C11H9ClFNO2/c1-2-16-11(15)9-4-6-3-7(13)5-8(12)10(6)14-9/h3-5,14H,2H2,1H3
InChI key:InChIKey=NHKBYNBUBRJWJJ-UHFFFAOYSA-N
SMILES:ClC1=C2C(C=C(C(OCC)=O)N2)=CC(F)=C1
Synonyms:
  • Ethyl 7-chloro-5-fluoro-1H-indole-2-carboxylate
  • 1H-Indole-2-carboxylic acid, 7-chloro-5-fluoro-, ethyl ester
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