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CAS 76518-59-7

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5-Isoquinolineacetonitrile

Description:
5-Isoquinolineacetonitrile, with the CAS number 76518-59-7, is a chemical compound that belongs to the class of isoquinoline derivatives. It features a nitrile functional group (-C≡N) attached to an isoquinoline structure, which is a bicyclic compound composed of a benzene ring fused to a pyridine ring. This compound is typically characterized by its solid state at room temperature and exhibits moderate solubility in organic solvents. Its molecular structure contributes to its potential biological activity, making it of interest in medicinal chemistry and drug development. The presence of the nitrile group may enhance its reactivity and ability to participate in various chemical reactions, such as nucleophilic additions or cycloadditions. Additionally, 5-Isoquinolineacetonitrile may serve as a building block in the synthesis of more complex molecules or as a ligand in coordination chemistry. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.
Formula:C11H8N2
InChI:InChI=1S/C11H8N2/c12-6-4-9-2-1-3-10-8-13-7-5-11(9)10/h1-3,5,7-8H,4H2
InChI key:InChIKey=RYLXJEWERMSCJV-UHFFFAOYSA-N
SMILES:C(C#N)C=1C2=C(C=CC1)C=NC=C2
Synonyms:
  • 5-Isoquinolineacetonitrile
  • 2-(Isoquinolin-5-yl)acetonitrile
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