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CAS 39891-06-0

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5-Fluoro-3-pyridineacetonitrile

Description:
5-Fluoro-3-pyridineacetonitrile, with the CAS number 39891-06-0, is a chemical compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. The presence of a fluorine atom at the 5-position of the pyridine ring and a cyano group (-C≡N) attached to the 3-position contributes to its unique chemical properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is known for its potential applications in pharmaceuticals and agrochemicals, particularly as an intermediate in the synthesis of various biologically active compounds. The presence of the cyano group enhances its reactivity, making it useful in nucleophilic substitution reactions. Additionally, the fluorine atom can influence the compound's lipophilicity and biological activity. As with many nitriles, it may exhibit toxicity and should be handled with appropriate safety precautions in a laboratory setting.
Formula:C7H5FN2
InChI:InChI=1S/C7H5FN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1H2
InChI key:InChIKey=OCVAQFOGIUNAIY-UHFFFAOYSA-N
SMILES:C(C#N)C=1C=C(F)C=NC1
Synonyms:
  • (5-Fluoropyridin-3-yl)acetonitrile
  • 2-(5-Fluoropyridin-3-yl)acetonitrile
  • 5-Fluoro-3-pyridineacetonitrile
  • 3-Pyridineacetonitrile, 5-fluoro-
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