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CAS 115027-08-2

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3-(2-Chloroacetyl)-1H-indole-5-carbonitrile

Description:
3-(2-Chloroacetyl)-1H-indole-5-carbonitrile 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 chloroacetyl group at the 3-position and a carbonitrile group at the 5-position contributes to its reactivity and potential biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its functional groups suggest that it could participate in various chemical reactions, including nucleophilic substitutions and electrophilic additions. The chloroacetyl moiety may enhance its reactivity, making it a candidate for further chemical modifications or applications in medicinal chemistry. Additionally, compounds with indole structures are often investigated for their pharmacological properties, including anti-cancer and anti-inflammatory activities. Safety data and handling precautions should be considered, as the presence of chlorine and nitrile groups may pose health risks. Overall, 3-(2-Chloroacetyl)-1H-indole-5-carbonitrile is of interest in both synthetic and medicinal chemistry contexts.
Formula:C11H7ClN2O
InChI:InChI=1S/C11H7ClN2O/c12-4-11(15)9-6-14-10-2-1-7(5-13)3-8(9)10/h1-3,6,14H,4H2
InChI key:InChIKey=BLEBTHHPYINQMI-UHFFFAOYSA-N
SMILES:C(CCl)(=O)C=1C=2C(NC1)=CC=C(C#N)C2
Synonyms:
  • 3-(2-Chloroacetyl)-1H-indole-5-carbonitrile
  • 1H-Indole-5-carbonitrile, 3-(2-chloroacetyl)-
  • 1H-Indole-5-carbonitrile, 3-(chloroacetyl)-
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