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CAS 100929-86-0

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5-Hydroxy-1H-indole-3-acetonitrile

Description:
5-Hydroxy-1H-indole-3-acetonitrile, with the CAS number 100929-86-0, is a chemical compound that features an indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound is characterized by the presence of a hydroxyl group (-OH) at the 5-position and an acetonitrile group (-C≡N) at the 3-position of the indole ring. It is typically a solid at room temperature and may exhibit solubility in polar organic solvents due to the presence of the hydroxyl group. The compound is of interest in various fields, including medicinal chemistry and biochemistry, due to its potential biological activities and applications. Its structural features suggest that it may participate in hydrogen bonding and other interactions, influencing its reactivity and interactions with biological targets. As with many indole derivatives, it may also exhibit fluorescence properties, making it useful in certain analytical applications. Safety data should be consulted for handling and usage, as with any chemical substance.
Formula:C10H8N2O
InChI:InChI=1S/C10H8N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3H2
InChI key:InChIKey=SHKJOZJRCTYYNW-UHFFFAOYSA-N
SMILES:C(C#N)C=1C=2C(NC1)=CC=C(O)C2
Synonyms:
  • 5-Hydroxy-1H-indole-3-acetonitrile
  • 2-(5-Hydroxy-1H-indol-3-yl)acetonitrile
  • 1H-Indole-3-acetonitrile, 5-hydroxy-
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