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CAS 89434-05-9

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Methyl 3-(cyanomethyl)-4-fluoro-1H-indole-1-carboxylate

Description:
Methyl 3-(cyanomethyl)-4-fluoro-1H-indole-1-carboxylate is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of a carboxylate group indicates that it is an ester, specifically a methyl ester, which contributes to its reactivity and solubility properties. The fluorine atom at the 4-position of the indole ring introduces unique electronic and steric effects, potentially influencing the compound's biological activity and chemical reactivity. The cyanomethyl group at the 3-position adds a nitrile functional group, which can participate in various chemical reactions, including nucleophilic additions. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in the synthesis of novel therapeutic agents. As with many organic compounds, its stability, solubility, and reactivity can be influenced by environmental factors such as pH and temperature.
Formula:C12H9FN2O2
InChI:InChI=1S/C12H9FN2O2/c1-17-12(16)15-7-8(5-6-14)11-9(13)3-2-4-10(11)15/h2-4,7H,5H2,1H3
InChI key:InChIKey=DFWPIGZKQYPHQZ-UHFFFAOYSA-N
SMILES:C(C#N)C=1C=2C(N(C(OC)=O)C1)=CC=CC2F
Synonyms:
  • Methyl 3-(cyanomethyl)-4-fluoro-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 3-(cyanomethyl)-4-fluoro-, methyl ester
  • 4-Fluoro-1-methoxycarbonyl-3-indoleacetonitrile
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