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

  • CAS No. 886510-09-4

  • Cat. No. CS-0051368
  • Purity≥98%
  • MDL No.None

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

3-Fluoro-2-(trifluoromethyl)pyridine-4-carboxylic acid|CS-0051368

Structure of 886510-09-4

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General Information

  • CAS No. 886510-09-4
  • Cat. No. CS-0051368
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₄NO₂
  • Molecular Weight 209.10
  • Synonym(s) 3-Fluoro-2-trifluoromethyl-isonicotinic acid
  • SMILES OC(=O)C1=C(F)C(=NC=C1)C(F)(F)F

Description

3-Fluoro-2-(trifluoromethyl)pyridine-4-carboxylic acid features a trifluoromethyl group and a fluorine substituent positioned for strong electron-withdrawal, enhancing its utility in medicinal chemistry. The carboxylic acid moiety enables direct coupling reactions, while the pyridine scaffold provides structural rigidity and improved metabolic stability. This compound serves as a key building block in the synthesis of bioactive molecules.

Application

3-Fluoro-2-(trifluoromethyl)pyridine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation of fluorinated heterocyclic motifs into API candidates. Its carboxylic acid functionality facilitates amide coupling, esterification, and derivatization under standard conditions. The molecule exhibits enhanced metabolic stability and modulates electronic properties via synergistic electron-withdrawing effects from the trifluoromethyl and fluorine substituents. Bench-stable and compatible with diverse reaction protocols, it functions as a key scaffold for developing kinase inhibitors and other bioactive compounds.

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   1.9377
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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