Cas no 1227494-41-8 (5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one)

5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one is a fluorinated pyridinone derivative with a hydroxymethyl substituent at the 3-position. This compound is of interest in medicinal chemistry and pharmaceutical research due to its potential as a versatile intermediate for the synthesis of biologically active molecules. The presence of both fluorine and a hydroxymethyl group enhances its reactivity, enabling selective modifications for drug discovery applications. Its structural features may contribute to improved binding affinity or metabolic stability in target compounds. The product is typically characterized by high purity and stability under standard storage conditions, making it suitable for use in synthetic organic chemistry and lead optimization studies.
5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one structure
1227494-41-8 structure
Product Name:5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one
CAS No:1227494-41-8
MF:C6H6FNO2
MW:143.115745067596
CID:4799367
Update Time:2025-06-11

5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one Chemical and Physical Properties

Names and Identifiers

    • 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one
    • 5-Fluoro-2-hydroxypyridine-3-methanol
    • 5-Fluoro-3-(hydroxymethyl)pyridin-2-ol
    • Inchi: 1S/C6H6FNO2/c7-5-1-4(3-9)6(10)8-2-5/h1-2,9H,3H2,(H,8,10)
    • InChI Key: MAFDQIKLRYGTHM-UHFFFAOYSA-N
    • SMILES: FC1=CNC(C(=C1)CO)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 220
  • XLogP3: -0.3
  • Topological Polar Surface Area: 49.3

5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one Pricemore >>

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Additional information on 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one

Professional Introduction to Compound with CAS No 1227494-41-8 and Product Name 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one

Compound with the CAS number 1227494-41-8 and the product name 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one represents a significant advancement in the field of chemical and pharmaceutical research. This compound, characterized by its unique structural and functional properties, has garnered considerable attention due to its potential applications in drug development and molecular biology. The presence of a fluoro group and a hydroxymethyl substituent in its molecular framework imparts distinct chemical reactivity and biological activity, making it a valuable candidate for further exploration.

The 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one structure is derived from pyridine, a heterocyclic aromatic compound that serves as a fundamental scaffold in medicinal chemistry. The introduction of fluorine at the 5-position and a hydroxymethyl group at the 3-position enhances the compound's solubility, metabolic stability, and binding affinity to biological targets. These modifications are critical in optimizing pharmacokinetic profiles, which are essential for the development of effective therapeutic agents.

Recent studies have highlighted the importance of fluorinated pyridines in the design of novel pharmaceuticals. The fluorine atom, due to its electronegativity and small size, can significantly influence the electronic properties of molecules, thereby affecting their interactions with biological receptors. In particular, 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one has been investigated for its potential role in inhibiting various enzymes and receptors involved in inflammatory and infectious diseases. Its ability to modulate these pathways makes it a promising candidate for further clinical development.

In addition to its pharmacological applications, 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one has shown promise in biochemical research. The compound's unique reactivity allows it to participate in various chemical transformations, making it useful as an intermediate in synthesizing more complex molecules. Researchers have leveraged its structural features to develop novel synthetic routes that could be applied in industrial-scale production of other bioactive compounds.

The integration of computational methods into the study of 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one has further accelerated its investigation. Advanced computational techniques, such as molecular dynamics simulations and quantum mechanical calculations, have enabled scientists to predict the compound's behavior with high accuracy. These predictions are crucial for designing experiments and optimizing reaction conditions, thereby reducing experimental costs and time.

One of the most intriguing aspects of 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one is its potential in developing antiviral agents. The compound's ability to interfere with viral replication mechanisms has been explored through both experimental and theoretical studies. By targeting specific viral enzymes or receptors, it may offer a new strategy for combating emerging infectious diseases. This potential has prompted researchers to investigate its efficacy against various viruses, including those responsible for influenza and HIV.

The role of fluorinated pyridines in anticancer therapy is another area where 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one has demonstrated significant promise. Its structural features allow it to interact with key proteins involved in cell proliferation and survival. Preclinical studies have shown that derivatives of this compound can induce apoptosis in cancer cells while sparing healthy cells. This selectivity is critical for developing treatments that minimize side effects associated with traditional chemotherapy.

Environmental considerations also play a role in the research and application of 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one. Efforts have been made to develop synthetic routes that minimize waste generation and energy consumption. Green chemistry principles have been applied to optimize processes, ensuring that the production of this compound is both sustainable and environmentally friendly.

The future prospects for 5-Fluoro-3-(hydroxymethyl)pyridin-2(1H)-one are vast, with ongoing research uncovering new applications and refining existing ones. As our understanding of molecular interactions continues to evolve, this compound is likely to play an increasingly important role in pharmaceutical development. Its unique combination of structural features makes it a versatile tool for scientists working across multiple disciplines.

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