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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)picolinonitrile

  • CAS No. 406933-21-9

  • Cat. No. CS-W005492
  • Molecule weight172.11
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-(Trifluoromethyl)picolinonitrile|CS-W005492

Structure of 406933-21-9

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General Information

  • CAS No. 406933-21-9
  • Cat. No. CS-W005492
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₃N₂
  • Molecular Weight 172.11
  • Synonym(s) 3-Trifluoromethyl-pyridine-2-carbonitrile
  • SMILES N#CC1=NC=CC=C1C(F)(F)F

Description

3-(Trifluoromethyl)picolinonitrile features a trifluoromethyl group flanking a nitrile-substituted pyridine ring, delivering enhanced electron-withdrawing character and improved metabolic stability. This configuration enables efficient incorporation into bioactive scaffolds and facilitates transition-metal-catalyzed coupling reactions under standard conditions.

Application

3-(Trifluoromethyl)picolinonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized heterocycles via nucleophilic addition and cyclization reactions. Its dual electron-withdrawing groups—trifluoromethyl and nitrile—enhance reactivity in conjugate additions and facilitate downstream transformations. The molecule exhibits excellent bench stability and is compatible with common purification methods, making it ideal for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • WO2004/74290 A1, ; Page 45 ; WO 2004/074290 A1
  • Route2
    • null|null
      557-21-1
    • In-stock
      2-Chloro-3-(trifluoromethyl)pyridine|CS-W002203
      65753-47-1
    • ~%
    • In-stock
      3-(Trifluoromethyl)picolinonitrile|CS-W005492
      406933-21-9

    References

    • WO2005/7652 A2, ; Page/Page column 57 ; WO 2005/007652 A2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.97208
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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