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CS-W001157 4
Total: USD 88.00

2-Chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid

  • CAS No. 796090-23-8

  • Cat. No. CS-0051936
  • Purity≥95%
  • MDL No.MFCD13188811

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

2-Chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid|CS-0051936

Structure of 796090-23-8

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General Information

  • CAS No. 796090-23-8
  • Cat. No. CS-0051936
  • Purity ≥95%
  • MDL No. MFCD13188811
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClF₃NO₂
  • Molecular Weight None
  • Synonym(s) 2-Chloro-6-(trifluoromethyl)isonicotinic acid
  • SMILES OC(=O)C1=CC(=NC(Cl)=C1)C(F)(F)F

Description

2-Chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid features a strategically positioned trifluoromethyl group enhancing electron-withdrawal and metabolic stability, while the carboxylic acid enables direct conjugation or derivatization. This scaffold integrates seamlessly into bioactive molecule design, offering robustness under standard reaction conditions.

Application

2-Chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive heterocycles via standard coupling reactions. Its trifluoromethyl and carboxylic acid functionalities provide enhanced metabolic stability and strategic reactivity for Suzuki-Miyaura, Ullmann, or amide bond formation. The molecule exhibits good bench stability and facilitates efficient purification, making it well-suited for high-throughput synthesis and API development workflows.

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

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