CAS 1093641-47-4

4-[(5-Cyano-2-pyridinyl)oxy]benzoic acid

Description:

4-[(5-Cyano-2-pyridinyl)oxy]benzoic acid, identified by its CAS number 1093641-47-4, is a chemical compound that features a benzoic acid moiety substituted with a 5-cyano-2-pyridinyl ether group. This compound is characterized by its aromatic structure, which contributes to its stability and potential reactivity. The presence of the cyano group (-CN) enhances its electronic properties, making it a candidate for various chemical reactions, including nucleophilic substitutions. The pyridine ring introduces heteroatoms, which can participate in coordination chemistry and influence solubility in polar solvents. Additionally, the carboxylic acid functional group (-COOH) provides acidic properties, allowing for potential interactions in biological systems or as a ligand in coordination complexes. Overall, this compound's unique structural features suggest applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. Its specific characteristics, such as solubility, melting point, and reactivity, would depend on the conditions and environment in which it is studied.

Formula: C₁₃H₈N₂O₃

InChI: InChI=1S/C13H8N2O3/c14-7-9-1-6-12(15-8-9)18-11-4-2-10(3-5-11)13(16)17/h1-6,8H,(H,16,17)

InChI key: InChIKey=IVUDWMJNAPABOO-UHFFFAOYSA-N

SMILES: O(C1=CC=C(C(O)=O)C=C1)C2=CC=C(C#N)C=N2

Synonyms:

• Benzoic acid, 4-[(5-cyano-2-pyridinyl)oxy]-
• 4-[(5-Cyano-2-pyridinyl)oxy]benzoic acid
• 4-[(5-Cyanopyridin-2-yl)oxy]benzoic acid

4-[(5-Cyanopyridin-2-yl)oxy]benzoic acid

CAS: 1093641-47-4

Versatile small molecule scaffold

Formula: C₁₃H₈N₂O₃

Purity: Min. 95%

Molecular weight: 240.21 g/mol

Ref: 3D-TTB64147