CAS 1200497-85-3

5-Cyano-2-pyrimidinecarboxylic acid

Description:

5-Cyano-2-pyrimidinecarboxylic acid is a heterocyclic organic compound characterized by a pyrimidine ring substituted with a cyano group and a carboxylic acid functional group. This compound typically exhibits properties associated with both pyrimidine derivatives and carboxylic acids, such as moderate solubility in polar solvents due to the presence of the carboxylic acid group, which can engage in hydrogen bonding. The cyano group contributes to the compound's reactivity, making it a potential precursor for various chemical syntheses. Additionally, the presence of both electron-withdrawing groups (cyano and carboxylic acid) can influence the acidity and reactivity of the compound, making it useful in medicinal chemistry and as an intermediate in the synthesis of pharmaceuticals. Its structural features may also impart specific biological activities, which can be explored in drug development. Overall, 5-Cyano-2-pyrimidinecarboxylic acid is a versatile compound with applications in organic synthesis and potentially in agrochemical and pharmaceutical research.

Formula: C₆H₃N₃O₂

InChI: InChI=1S/C6H3N3O2/c7-1-4-2-8-5(6(10)11)9-3-4/h2-3H,(H,10,11)

InChI key: InChIKey=VEPZLCHNICQZEA-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1N=CC(C#N)=CN1

Synonyms:

• 5-Cyanopyrimidine-2-carboxylic acid
• 5-Cyano-2-pyrimidinecarboxylic acid
• 2-Pyrimidinecarboxylic acid, 5-cyano-