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CS-W001157 4
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5-Fluoro-6-(trifluoromethyl)nicotinic acid

  • CAS No. 1554123-46-4

  • Cat. No. CS-0130961
  • Molecule weight209.10
  • Purity≥97%
  • MDL No.None

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

5-Fluoro-6-(trifluoromethyl)nicotinic acid|CS-0130961

Structure of 1554123-46-4

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General Information

  • CAS No. 1554123-46-4
  • Cat. No. CS-0130961
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₄NO₂
  • Molecular Weight 209.10
  • Synonym(s) 5-Fluoro-6-trifluoromethyl-nicotinic acid
  • SMILES O=C(C1=CC(F)=C(C(F)(F)F)N=C1)O

Description

5-Fluoro-6-(trifluoromethyl)nicotinic acid features a strategically positioned trifluoromethyl group and fluorine substituent that enhance electron-withdrawal and metabolic stability. This combination imparts strong acidity and favorable solubility under standard conditions, enabling direct incorporation into bioactive scaffolds. The molecule serves as a critical building block for pharmaceutical intermediates, particularly in kinase inhibitors and CNS-targeted compounds where lipophilicity and electronic tuning are essential.

Application

5-Fluoro-6-(trifluoromethyl)nicotinic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its electron-deficient pyridine core facilitates nucleophilic aromatic substitution and transition-metal-catalyzed coupling reactions. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the fluorine substituent modulates electronic properties and binding affinity. Bench-stable and readily purified by recrystallization, it functions efficiently in standard amide coupling and esterification protocols.

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   50.19
  • LogP   1.9377
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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