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2-Chloro-5-(trifluoromethyl)isonicotinonitrile

  • CAS No. 1260782-19-1

  • Cat. No. CS-0157896
  • Purity≥98%
  • MDL No.MFCD11848361

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

2-Chloro-5-(trifluoromethyl)isonicotinonitrile|CS-0157896

Structure of 1260782-19-1

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General Information

  • CAS No. 1260782-19-1
  • Cat. No. CS-0157896
  • Purity ≥98%
  • MDL No. MFCD11848361
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂ClF₃N₂
  • Molecular Weight 206.55
  • Synonym(s) 2-Chloro-5-(trifluoromethyl)pyridine-4-carbonitrile
  • SMILES C1=C(C#N)C(=CN=C1Cl)C(F)(F)F

Description

2-Chloro-5-(trifluoromethyl)isonicotinonitrile features a trifluoromethyl group and nitrile functionality at the 5- and 2-positions of the isonicotinonitrile core, delivering strong electron-withdrawing character. This configuration enhances reactivity in cross-coupling and heterocyclic synthesis. The molecule exhibits bench-stability and compatibility with diverse reaction conditions, enabling efficient incorporation into complex molecular architectures.

Application

2-Chloro-5-(trifluoromethyl)isonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its trifluoromethyl and nitrile groups confer enhanced metabolic stability and favorable lipophilicity, while the chlorine facilitates selective functionalization. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for scalable synthesis of pharmaceutical intermediates.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.62548
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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