Cas no 1245913-20-5 (6-chloro-2-(trifluoromethyl)pyridine-3-carbonitrile)

6-Chloro-2-(trifluoromethyl)pyridine-3-carbonitrile is a versatile heterocyclic compound featuring a chloro substituent at the 6-position, a trifluoromethyl group at the 2-position, and a cyano functional group at the 3-position of the pyridine ring. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing trifluoromethyl and cyano groups enhance its utility in nucleophilic substitution and cross-coupling reactions. Its stability under various reaction conditions allows for broad applicability in constructing complex molecules. The compound is particularly useful in the development of bioactive compounds due to its ability to modulate electronic and steric properties in target structures.
6-chloro-2-(trifluoromethyl)pyridine-3-carbonitrile structure
1245913-20-5 structure
Product Name:6-chloro-2-(trifluoromethyl)pyridine-3-carbonitrile
CAS No:1245913-20-5
MF:C7H2ClF3N2
MW:206.552390575409
MDL:MFCD11848371
CID:1006927
Update Time:2025-08-10

6-chloro-2-(trifluoromethyl)pyridine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-chloro-2-(trifluoromethyl)pyridine-3-carbonitrile
    • 6-Chloro-2-(trifluoromethyl)nicotinonitrile
    • MDL: MFCD11848371
    • Inchi: 1S/C7H2ClF3N2/c8-5-2-1-4(3-12)6(13-5)7(9,10)11/h1-2H
    • InChI Key: YNOOOWSRQHMRAA-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C#N)C(C(F)(F)F)=N1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1

6-chloro-2-(trifluoromethyl)pyridine-3-carbonitrile Security Information

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