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5-(Trifluoromethyl)pyrazine-2-carboxylic acid

  • CAS No. 1060814-50-7

  • Cat. No. CS-0099101
  • Purity≥98%
  • MDL No.MFCD10698566

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

5-(Trifluoromethyl)pyrazine-2-carboxylic acid|CS-0099101

Structure of 1060814-50-7

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General Information

  • CAS No. 1060814-50-7
  • Cat. No. CS-0099101
  • Purity ≥98%
  • MDL No. MFCD10698566
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃F₃N₂O₂
  • Molecular Weight 192.10
  • Synonym(s) 2-Trifluoromethyl-5-pyrazinecarboxylic acid
  • SMILES O=C(O)C1=NC=C(N=C1)C(F)(F)F

Description

5-(Trifluoromethyl)pyrazine-2-carboxylic acid features a trifluoromethyl group at the 5-position and a carboxylic acid at the 2-position of the pyrazine ring, conferring strong electron-withdrawing character and enhanced solubility in polar solvents. This structural combination enables efficient incorporation into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting kinase inhibitors and antimicrobial agents. The molecule exhibits bench-stable handling under standard conditions.

Application

5-(Trifluoromethyl)pyrazine-2-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling the construction of pyrazine-based scaffolds prevalent in medicinal chemistry. Its trifluoromethyl group enhances metabolic stability and modulates electronic properties, while the carboxylic acid functionality facilitates direct coupling reactions or derivatization. The compound exhibits good bench stability and is compatible with standard functional group transformations, making it well-suited for parallel synthesis campaigns and API intermediate development.

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   63.08
  • LogP   1.1936
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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