Cas no 566198-45-6 (5-(2-formylphenyl)pyridine-2-carboxylic acid)

5-(2-Formylphenyl)pyridine-2-carboxylic acid is a versatile bifunctional organic compound featuring both a formyl group and a carboxylic acid moiety on a pyridine-phenyl scaffold. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing heterocyclic frameworks. The aldehyde group enables condensation reactions, while the carboxylic acid allows for further derivatization via esterification or amidation. Its rigid aromatic backbone contributes to stability and controlled reactivity, making it suitable for applications in medicinal chemistry, ligand design, and material science. The compound’s high purity and well-defined functional groups ensure consistent performance in complex synthetic pathways.
5-(2-formylphenyl)pyridine-2-carboxylic acid structure
566198-45-6 structure
Product Name:5-(2-formylphenyl)pyridine-2-carboxylic acid
CAS No:566198-45-6
MF:C13H9NO3
MW:227.215463399887
MDL:MFCD16817609
CID:945680
PubChem ID:50998551
Update Time:2025-08-05

5-(2-formylphenyl)pyridine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(2-Formylphenyl)-picolinic acid
    • 5-(2-formylphenyl)pyridine-2-carboxylic acid
    • 5-(2-formylphenyl)picolinic acid
    • SCHEMBL2553924
    • 566198-45-6
    • DTXSID50679301
    • MFCD16817609
    • DB-316843
    • 5-(2-Formylphenyl)-picolinicacid
    • MDL: MFCD16817609
    • Inchi: 1S/C13H9NO3/c15-8-10-3-1-2-4-11(10)9-5-6-12(13(16)17)14-7-9/h1-8H,(H,16,17)
    • InChI Key: IPTYZTSMVUHKDE-UHFFFAOYSA-N
    • SMILES: O=CC1C=CC=CC=1C1C=NC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 227.05800
  • Monoisotopic Mass: 227.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 292
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 67.3A^2
  • XLogP3: 1.8

Experimental Properties

  • PSA: 67.26000
  • LogP: 2.25930

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Additional information on 5-(2-formylphenyl)pyridine-2-carboxylic acid

Comprehensive Overview of 5-(2-formylphenyl)pyridine-2-carboxylic acid (CAS No. 566198-45-6)

5-(2-formylphenyl)pyridine-2-carboxylic acid (CAS No. 566198-45-6) is a versatile organic compound widely used in pharmaceutical and chemical research. This compound, characterized by its formylphenyl and pyridine-carboxylic acid functional groups, plays a critical role in the synthesis of bioactive molecules. Researchers and industries are increasingly interested in its applications due to its unique structural properties and potential in drug discovery.

The compound's molecular structure combines a pyridine ring with a carboxylic acid group and a formylphenyl substituent, making it a valuable intermediate in organic synthesis. Its CAS number, 566198-45-6, is essential for precise identification in chemical databases and regulatory documentation. The growing demand for heterocyclic compounds in medicinal chemistry has spotlighted this molecule, particularly in the development of small-molecule inhibitors and bioconjugates.

Recent trends in AI-driven drug discovery and high-throughput screening have amplified interest in 5-(2-formylphenyl)pyridine-2-carboxylic acid. Researchers frequently search for its synthetic routes, spectroscopic data, and applications in catalysis. The compound's relevance in green chemistry and sustainable synthesis also aligns with global efforts to reduce environmental impact. For instance, its potential as a ligand in metal-organic frameworks (MOFs) is a hot topic in materials science.

From a commercial perspective, suppliers and manufacturers often highlight the purity and stability of CAS 566198-45-6 to meet laboratory and industrial standards. Analytical techniques such as NMR, HPLC, and mass spectrometry are routinely employed to verify its quality. The compound's compatibility with cross-coupling reactions and click chemistry further enhances its utility in modern synthetic workflows.

In summary, 5-(2-formylphenyl)pyridine-2-carboxylic acid (CAS No. 566198-45-6) is a pivotal building block in contemporary chemistry. Its multifaceted applications, coupled with advancements in computational chemistry and automated synthesis, ensure its continued prominence in scientific research. For those exploring structure-activity relationships (SAR) or molecular design, this compound offers a robust platform for innovation.

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