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5-(Difluoromethyl)pyrazine-2-carboxylic acid

  • CAS No. 1174321-06-2

  • Cat. No. CS-0043747
  • Purity≥98%
  • MDL No.None

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

5-(Difluoromethyl)pyrazine-2-carboxylic acid|CS-0043747

Structure of 1174321-06-2

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General Information

  • CAS No. 1174321-06-2
  • Cat. No. CS-0043747
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄F₂N₂O₂
  • Molecular Weight 174.10
  • Synonym(s) 5-Difluoromethylpyrazine-2-carboxylic acid
  • SMILES O=C(C1=NC=C(C(F)F)N=C1)O

Description

5-(Difluoromethyl)pyrazine-2-carboxylic acid features a pyrazine core functionalized with a difluoromethyl group at the 5-position and a carboxylic acid at the 2-position, offering enhanced metabolic stability and electron-withdrawing character. This combination enables direct incorporation into bioactive scaffolds for medicinal chemistry applications.

Application

5-(Difluoromethyl)pyrazine-2-carboxylic acid serves as a valuable building block for medicinal chemistry and agrochemical research, enabling the incorporation of a polar, metabolically stable difluoromethyl group into bioactive heterocycles. Its carboxylic acid functionality facilitates direct coupling reactions or derivatization, while the pyrazine core provides a versatile scaffold for further functionalization. The molecule exhibits good bench stability and compatibility with standard synthetic protocols, supporting efficient access to complex fluorinated compounds in drug discovery workflows.

Safety Information

Download SDS
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   1.1124
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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