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2-(Trifluoromethyl)isonicotinonitrile

  • CAS No. 916210-02-1

  • Cat. No. CS-0373223
  • Purity≥98%
  • MDL No.None

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

2-(Trifluoromethyl)isonicotinonitrile|CS-0373223

Structure of 916210-02-1

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General Information

  • CAS No. 916210-02-1
  • Cat. No. CS-0373223
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₃N₂
  • Molecular Weight 172.11
  • Synonym(s) 4-pyridinecarbonitrile, 2-(trifluoromethyl)-
  • SMILES N#CC1=CC(C(F)(F)F)=NC=C1

Description

2-(Trifluoromethyl)isonicotinonitrile features a trifluoromethyl group and nitrile functionality positioned ortho to each other on an isonicotinonitrile scaffold. This electron-deficient heterocycle integrates readily into synthetic routes requiring strong π-accepting motifs, offering enhanced reactivity in cross-coupling and nucleophilic addition processes under standard conditions.

Application

2-(Trifluoromethyl)isonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its trifluoromethyl and nitrile groups provide strong electron-withdrawing character, enhancing reactivity in C–H functionalization and facilitating access to bioactive molecules. The compound exhibits good bench stability and ease of purification, making it well-suited for scalable synthesis and process development.

Safety Information

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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-P330-P362+P364-P405-P501

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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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