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CS-W001157 4
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5-Cyanopyrazine-2-carboxylic acid

  • CAS No. 1211533-09-3

  • Cat. No. CS-0097641
  • Purity≥97%
  • MDL No.None

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

5-Cyanopyrazine-2-carboxylic acid|CS-0097641

Structure of 1211533-09-3

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General Information

  • CAS No. 1211533-09-3
  • Cat. No. CS-0097641
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃N₃O₂
  • Molecular Weight 149.11
  • Synonym(s) 5-Cyano-2-pyrazinecarboxylic acid
  • SMILES O=C(O)C1=NC=C(N=C1)C#N

Description

5-Cyanopyrazine-2-carboxylic acid features a fused pyrazine core bearing complementary electron-withdrawing groups: a nitrile at the 5-position and a carboxylic acid at the 2-position. This arrangement imparts strong acidity and enhanced electrophilicity, enabling direct incorporation into heterocyclic scaffolds via coupling reactions. The molecule exhibits stability under standard bench conditions and demonstrates favorable solubility in polar aprotic solvents, facilitating use in synthetic transformations and materials development.

Application

5-Cyanopyrazine-2-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to pyrazine-based scaffolds through standard functional group transformations. Its dual functionality—cyano and carboxylic acid groups—supports diverse coupling reactions, including amidation and esterification, with excellent bench stability and straightforward purification. Widely employed in medicinal chemistry and agrochemical research, it functions as a key intermediate in the construction of bioactive molecules and API precursors.

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   86.87
  • LogP   0.04648
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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