Cas no 716362-04-8 (3-Acetyl-2-pyridinecarboxylic acid)

3-Acetyl-2-pyridinecarboxylic acid is a heterocyclic compound featuring both acetyl and carboxylic acid functional groups on a pyridine backbone. This structure makes it a versatile intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and coordination complexes. The presence of reactive sites allows for further derivatization, enabling applications in ligand design and catalysis. Its stability under standard conditions and compatibility with common solvents enhance its utility in laboratory and industrial settings. The compound’s well-defined reactivity profile ensures reproducibility in synthetic workflows, making it a valuable building block for researchers in medicinal and materials chemistry.
3-Acetyl-2-pyridinecarboxylic acid structure
716362-04-8 structure
Product Name:3-Acetyl-2-pyridinecarboxylic acid
CAS No:716362-04-8
MF:C8H7NO3
MW:165.146082162857
MDL:MFCD16140257
CID:558172
PubChem ID:23002668
Update Time:2025-06-27

3-Acetyl-2-pyridinecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Acetyl-2-pyridinecarboxylic acid
    • 2-Pyridinecarboxylicacid, 3-acetyl-
    • acetylpyridinecarboxylicacid
    • ANW-55423
    • CTK2H6479
    • MolPort-004-764-056
    • SureCN3006650
    • SB52815
    • 3-acetylpyridine-2-carboxylic acid
    • 3-acetyl-2-pyridinecarboxylicacid
    • J-511505
    • DTXSID90629527
    • 3-Acetylpicolinic acid
    • AKOS005071832
    • ZHIOUPNVQJCRBN-UHFFFAOYSA-N
    • MFCD16140257
    • CS-0155144
    • BE-0707
    • 716362-04-8
    • 2-Pyridinecarboxylic acid, 3-acetyl- (9CI)
    • D95040
    • SCHEMBL3006650
    • FT-0730197
    • DA-24371
    • MDL: MFCD16140257
    • Inchi: 1S/C8H7NO3/c1-5(10)6-3-2-4-9-7(6)8(11)12/h2-4H,1H3,(H,11,12)
    • InChI Key: ZHIOUPNVQJCRBN-UHFFFAOYSA-N
    • SMILES: O=C(C)C1=CC=CN=C1C(=O)O

Computed Properties

  • Exact Mass: 165.042593085g/mol
  • Monoisotopic Mass: 165.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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
  • XLogP3: 0.4
  • Topological Polar Surface Area: 67.3?2

Experimental Properties

  • PSA: 67.26000
  • LogP: 0.98240

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Additional information on 3-Acetyl-2-pyridinecarboxylic acid

Professional Introduction to 3-Acetyl-2-pyridinecarboxylic Acid (CAS No. 716362-04-8)

3-Acetyl-2-pyridinecarboxylic acid, chemically designated as 3-Acetyl-2-pyridinecarboxylic acid, is a significant compound in the realm of pharmaceutical and chemical research. With the CAS number CAS No. 716362-04-8, this compound has garnered attention due to its versatile applications and structural properties that make it a valuable intermediate in the synthesis of various bioactive molecules.

The molecular structure of 3-Acetyl-2-pyridinecarboxylic acid consists of a pyridine ring substituted with an acetyl group at the 3-position and a carboxylic acid moiety at the 2-position. This unique arrangement imparts distinct reactivity and functionality, making it a cornerstone in the development of novel therapeutic agents. The compound's ability to participate in various chemical transformations, such as condensation, esterification, and amidation, underscores its importance in synthetic chemistry.

In recent years, the pharmaceutical industry has witnessed a surge in the exploration of heterocyclic compounds due to their potential therapeutic benefits. Among these, pyridine derivatives have been extensively studied for their role in drug discovery. 3-Acetyl-2-pyridinecarboxylic acid, with its acetyl and carboxylic acid functionalities, serves as a versatile building block for the synthesis of more complex molecules. For instance, it has been utilized in the preparation of kinase inhibitors, which are pivotal in treating various cancers and inflammatory diseases.

One of the most compelling aspects of 3-Acetyl-2-pyridinecarboxylic acid is its role in medicinal chemistry. Researchers have leveraged its structural features to develop molecules with enhanced binding affinity and selectivity towards target enzymes and receptors. A notable example is its use in the synthesis of small-molecule inhibitors targeting protein-protein interactions, which are increasingly recognized as key drivers in many pathological processes.

The compound's significance extends beyond academic research; it has found practical applications in industrial settings as well. The pharmaceutical industry relies on high-quality intermediates like 3-Acetyl-2-pyridinecarboxylic acid to streamline drug development processes. Its stability under various reaction conditions and compatibility with a wide range of reagents make it an indispensable tool for synthetic chemists.

Recent advancements in computational chemistry have further highlighted the potential of 3-Acetyl-2-pyridinecarboxylic acid. Molecular modeling studies have demonstrated its ability to modulate biological pathways by interacting with specific targets. These studies not only provide insights into its mechanism of action but also aid in the design of more effective derivatives. The integration of machine learning algorithms has expedited the process of identifying promising candidates for further experimental validation.

The environmental impact of chemical synthesis is another area where 3-Acetyl-2-pyridinecarboxylic acid has been scrutinized. Efforts are underway to develop greener synthetic routes that minimize waste and reduce energy consumption. Catalytic methods, particularly those employing transition metals, have been explored as alternatives to traditional stoichiometric approaches. These innovations align with global initiatives aimed at promoting sustainable chemistry practices.

In conclusion, 3-Acetyl-2-pyridinecarboxylic acid (CAS No. 716362-04-8) stands out as a pivotal compound in pharmaceutical and chemical research. Its unique structural features and reactivity make it an invaluable intermediate for synthesizing bioactive molecules. As research continues to uncover new applications and refine synthetic methodologies, this compound will undoubtedly remain at the forefront of scientific innovation.

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