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CAS 1135935-39-5

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5-(Difluoromethoxy)-1H-indole-3-carboxylic acid

Description:
5-(Difluoromethoxy)-1H-indole-3-carboxylic acid 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 specific compound features a difluoromethoxy group, indicating the presence of two fluorine atoms attached to a methoxy group (-OCH2F2) at the 5-position of the indole ring. Additionally, it contains a carboxylic acid functional group (-COOH) at the 3-position, contributing to its acidic properties. The presence of fluorine atoms often enhances the compound's biological activity and lipophilicity, making it of interest in medicinal chemistry. The compound's molecular structure suggests potential applications in pharmaceuticals, particularly in the development of drugs targeting various biological pathways. Its unique combination of functional groups may also influence its solubility, stability, and reactivity, which are critical factors in drug design and development. As with many indole derivatives, it may exhibit interesting pharmacological properties, warranting further investigation.
Formula:C10H7F2NO3
InChI:InChI=1S/C10H7F2NO3/c11-10(12)16-5-1-2-8-6(3-5)7(4-13-8)9(14)15/h1-4,10,13H,(H,14,15)
InChI key:InChIKey=PVFJCOSHTHYNBT-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C=2C(NC1)=CC=C(OC(F)F)C2
Synonyms:
  • 1H-Indole-3-carboxylic acid, 5-(difluoromethoxy)-
  • 5-(Difluoromethoxy)-1H-indole-3-carboxylic acid
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