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CS-W001157 4
Total: USD 88.00

2-Chloro-6-trifluoromethylnicotinic acid

  • CAS No. 280566-45-2

  • Cat. No. CS-D0797
  • Purity≥97%
  • MDL No.MFCD01862658

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

2-Chloro-6-trifluoromethylnicotinic acid|CS-D0797

Structure of 280566-45-2

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General Information

  • CAS No. 280566-45-2
  • Cat. No. CS-D0797
  • Purity ≥97%
  • MDL No. MFCD01862658
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClF₃NO₂
  • Molecular Weight None
  • Synonym(s) 2-Chloro-6-(trifluoromethyl)nicotinic acid
  • SMILES O=C(O)C1=C(Cl)N=C(C(F)(F)F)C=C1

Description

2-Chloro-6-trifluoromethylnicotinic acid features a trifluoromethyl group at the pyridine ring's C6 position, imparting enhanced electron-withdrawing character and metabolic stability. This structural motif enables efficient incorporation into bioactive molecules, particularly in medicinal chemistry scaffolds requiring halogenated heterocycles. The compound exhibits favorable solubility under standard conditions and serves as a key intermediate for pharmaceutical development workflows.

Application

2-Chloro-6-trifluoromethylnicotinic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its electron-deficient pyridine core facilitates nucleophilic aromatic substitution, while the trifluoromethyl group enhances metabolic stability and lipophilicity. The carboxylic acid functionality supports direct coupling reactions or derivatization, offering excellent bench stability and compatibility with standard purification methods.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      2-Chloro-6-(trifluoromethyl)pyridine|CS-W002204
      39890-95-4
    • ~78%
    • In-stock
      2-Chloro-6-trifluoromethylnicotinic acid|CS-D0797
      280566-45-2

    References

    • Cottet, Fabrice; Schlosser, Manfred European Journal of Organic Chemistry, 2004 , # 18 p. 3793 - 3798

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-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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