Cas no 1245914-98-0 (5-Bromo-2-(trifluoromethyl)nicotinonitrile)

5-Bromo-2-(trifluoromethyl)nicotinonitrile is a high-purity heterocyclic compound featuring a bromo-substituted pyridine core with a trifluoromethyl group and a nitrile functionality. Its molecular structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of active ingredients requiring halogenated or fluorinated motifs. The presence of both bromine and trifluoromethyl groups enhances reactivity in cross-coupling reactions, while the nitrile group offers further derivatization potential. This compound is characterized by its stability under standard conditions and compatibility with a range of organic transformations, making it suitable for research and industrial applications in medicinal chemistry and material science.
5-Bromo-2-(trifluoromethyl)nicotinonitrile structure
1245914-98-0 structure
Product Name:5-Bromo-2-(trifluoromethyl)nicotinonitrile
CAS No:1245914-98-0
MF:C7H2BrF3N2
MW:251.003390789032
CID:4900588
Update Time:2025-05-27

5-Bromo-2-(trifluoromethyl)nicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-(trifluoromethyl)nicotinonitrile
    • Inchi: 1S/C7H2BrF3N2/c8-5-1-4(2-12)6(13-3-5)7(9,10)11/h1,3H
    • InChI Key: YWJOURXCSWXEHA-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(C(F)(F)F)C(C#N)=C1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 232
  • XLogP3: 2.2
  • Topological Polar Surface Area: 36.7

5-Bromo-2-(trifluoromethyl)nicotinonitrile Pricemore >>

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