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CS-W001157 4
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3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid

  • CAS No. 80194-68-9

  • Cat. No. CS-W002605
  • Molecule weight225.55
  • Purity≥98%
  • MDL No.MFCD00277482

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

3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid|CS-W002605

Structure of 80194-68-9

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General Information

  • CAS No. 80194-68-9
  • Cat. No. CS-W002605
  • Purity ≥98%
  • MDL No. MFCD00277482
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClF₃NO₂
  • Molecular Weight 225.55
  • Synonym(s) 3-Chloro-5-(trifluoromethyl)picolinic Acid
  • SMILES OC(=O)c1ncc(cc1Cl)C(F)(F)F

Description

This trifluoromethyl-substituted pyridinecarboxylic acid features a chlorine atom at the 3-position and a strongly electron-withdrawing trifluoromethyl group, enhancing electrophilicity for cross-coupling reactions. The carboxylic acid moiety enables direct derivatization or metal complexation. This scaffold offers high stability under standard conditions and facilitates incorporation into bioactive molecules and functional materials.

Application

3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation of a trifluoromethyl group and a chloropyridine scaffold into target molecules. Its carboxylic acid functionality facilitates amide bond formation, esterification, and coupling reactions with amines or alcohols under standard conditions. The molecule exhibits good bench stability, moderate solubility in organic solvents, and functional group tolerance, making it suitable for use in multi-step syntheses of heterocyclic APIs and advanced intermediates.

Synthesis

  • Route1

    References

    • US4367336 A1, ;
  • Route2

    References

    • US4367336 A1, ;

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   50.19
  • LogP   2.452
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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