Cas no 1806850-62-3 (3-Bromo-5-(trifluoromethyl)isonicotinonitrile)

3-Bromo-5-(trifluoromethyl)isonicotinonitrile is a halogenated pyridine derivative featuring both bromo and trifluoromethyl substituents, along with a cyano functional group. This compound is valued for its versatility as a building block in pharmaceutical and agrochemical synthesis, particularly in the development of heterocyclic compounds. The presence of electron-withdrawing groups (trifluoromethyl and cyano) enhances its reactivity in nucleophilic aromatic substitution and cross-coupling reactions, making it useful for constructing complex molecular frameworks. Its stability and well-defined reactivity profile allow for precise modifications in medicinal chemistry applications. The compound is typically handled under standard laboratory conditions, with attention to compatibility in organic synthesis workflows.
3-Bromo-5-(trifluoromethyl)isonicotinonitrile structure
1806850-62-3 structure
Product Name:3-Bromo-5-(trifluoromethyl)isonicotinonitrile
CAS No:1806850-62-3
MF:C7H2BrF3N2
MW:251.003390789032
CID:4900594
Update Time:2025-06-06

3-Bromo-5-(trifluoromethyl)isonicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-(trifluoromethyl)isonicotinonitrile
    • Inchi: 1S/C7H2BrF3N2/c8-6-3-13-2-5(4(6)1-12)7(9,10)11/h2-3H
    • InChI Key: SPBSTZCVFCNUJR-UHFFFAOYSA-N
    • SMILES: BrC1=CN=CC(C(F)(F)F)=C1C#N

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 232
  • XLogP3: 2.1
  • Topological Polar Surface Area: 36.7

3-Bromo-5-(trifluoromethyl)isonicotinonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029013402-250mg
3-Bromo-5-(trifluoromethyl)isonicotinonitrile
1806850-62-3 95%
250mg
$1,009.40 2022-03-31
Alichem
A029013402-1g
3-Bromo-5-(trifluoromethyl)isonicotinonitrile
1806850-62-3 95%
1g
$3,039.75 2022-03-31
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