Cas no 1227572-05-5 (3-Bromo-2-fluoropyridine-6-acetonitrile)

3-Bromo-2-fluoropyridine-6-acetonitrile is a versatile heterocyclic compound featuring a bromo and fluoro substituent on a pyridine ring, coupled with an acetonitrile functional group at the 6-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing complex molecules through cross-coupling reactions, nucleophilic substitutions, or cyano-group transformations. The presence of both bromine and fluorine enhances its reactivity, enabling selective modifications for targeted applications. Its stability and well-defined reactivity profile facilitate its use in medicinal chemistry for developing bioactive compounds. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light.
3-Bromo-2-fluoropyridine-6-acetonitrile structure
1227572-05-5 structure
Product Name:3-Bromo-2-fluoropyridine-6-acetonitrile
CAS No:1227572-05-5
MF:C7H4BrFN2
MW:215.022463798523
CID:4913887
Update Time:2025-05-28

3-Bromo-2-fluoropyridine-6-acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-2-fluoropyridine-6-acetonitrile
    • Inchi: 1S/C7H4BrFN2/c8-6-2-1-5(3-4-10)11-7(6)9/h1-2H,3H2
    • InChI Key: LMDLCCUGSLHIKL-UHFFFAOYSA-N
    • SMILES: BrC1=C(N=C(CC#N)C=C1)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 177
  • XLogP3: 1.7
  • Topological Polar Surface Area: 36.7

3-Bromo-2-fluoropyridine-6-acetonitrile Pricemore >>

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