Cas no 949154-27-2 (1-(6-fluoro-3-pyridinyl)-1-Propanone)

1-(6-fluoro-3-pyridinyl)-1-Propanone structure
949154-27-2 structure
Product Name:1-(6-fluoro-3-pyridinyl)-1-Propanone
CAS No:949154-27-2
MF:C8H8FNO
MW:153.153625488281
CID:1122838
PubChem ID:69406919
Update Time:2025-11-01

1-(6-fluoro-3-pyridinyl)-1-Propanone Chemical and Physical Properties

Names and Identifiers

    • 1-(6-fluoro-3-pyridinyl)-1-Propanone
    • 1-(6-fluoropyridin-3-yl)propan-1-one
    • Z1216820526
    • SCHEMBL5327128
    • DHJLUZIHSSDJJG-UHFFFAOYSA-N
    • N14274
    • 1-(6-Fluoro-pyridin-3-yl)-propan-1-one
    • EN300-7015247
    • 949154-27-2
    • Inchi: 1S/C8H8FNO/c1-2-7(11)6-3-4-8(9)10-5-6/h3-5H,2H2,1H3
    • InChI Key: DHJLUZIHSSDJJG-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C=N1)C(CC)=O

Computed Properties

  • Exact Mass: 153.058992041g/mol
  • Monoisotopic Mass: 153.058992041g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 149
  • 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: 1.4
  • Topological Polar Surface Area: 30?2

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Additional information on 1-(6-fluoro-3-pyridinyl)-1-Propanone

Introduction to 1-(6-fluoro-3-pyridinyl)-1-Propanone (CAS No. 949154-27-2)

1-(6-fluoro-3-pyridinyl)-1-Propanone, identified by its Chemical Abstracts Service (CAS) number 949154-27-2, is a fluorinated pyridine derivative that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound, characterized by its unique structural motif, exhibits promising biological activities that make it a valuable scaffold for the development of novel therapeutic agents.

The molecular structure of 1-(6-fluoro-3-pyridinyl)-1-Propanone consists of a pyridine ring substituted at the 3-position with a fluorine atom, connected to a propanone moiety via an isopropyl group. This arrangement imparts distinct electronic and steric properties, which are critical for modulating its interactions with biological targets. The presence of the fluorine atom, in particular, is well-documented for its ability to enhance metabolic stability, binding affinity, and overall pharmacokinetic profiles in drug candidates.

In recent years, there has been a surge in research focused on fluorinated heterocycles due to their versatile applications in medicinal chemistry. Among these, pyridine derivatives have emerged as pivotal structures in the design of small-molecule drugs. The fluorine atom at the 6-position of the pyridine ring in 1-(6-fluoro-3-pyridinyl)-1-Propanone plays a crucial role in fine-tuning its pharmacological properties. This substitution pattern has been exploited to develop compounds with enhanced bioavailability and reduced susceptibility to enzymatic degradation.

One of the most compelling aspects of 1-(6-fluoro-3-pyridinyl)-1-Propanone is its potential as an intermediate in the synthesis of more complex pharmacophores. Researchers have leveraged this compound to explore novel mechanisms of action across various therapeutic domains. For instance, studies have indicated that derivatives of this structure may exhibit inhibitory effects on key enzymes implicated in inflammatory and metabolic disorders. The fluorine substituent, in particular, has been shown to improve the binding affinity of such compounds to their target proteins.

The pharmaceutical industry has long recognized the importance of fluorinated compounds in drug development. Fluorine atoms can modify the lipophilicity, solubility, and metabolic pathways of molecules, thereby optimizing their therapeutic efficacy. 1-(6-fluoro-3-pyridinyl)-1-Propanone exemplifies this principle, as it serves as a versatile building block for generating libraries of drug-like molecules. Its incorporation into larger scaffolds has led to the discovery of several lead compounds that are currently undergoing preclinical evaluation.

Recent advancements in computational chemistry and high-throughput screening have further accelerated the exploration of 1-(6-fluoro-3-pyridinyl)-1-Propanone and its derivatives. These methodologies allow researchers to rapidly assess the binding interactions between this compound and biological targets, thereby expediting the identification of promising candidates for further development. The integration of machine learning algorithms has also enabled the prediction of physicochemical properties and ADME (Absorption, Distribution, Metabolism, and Excretion) profiles, providing valuable insights into potential drug candidates.

The synthesis of 1-(6-fluoro-3-pyridinyl)-1-Propanone involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions and transition-metal-mediated transformations, have been employed to construct the desired molecular framework efficiently. These synthetic strategies not only ensure high yields but also minimize side reactions, making them ideal for industrial-scale production.

In addition to its pharmaceutical applications, 1-(6-fluoro-3-pyridinyl)-1-Propanone has shown promise in materials science and agrochemical research. Its unique structural features make it a suitable candidate for developing novel organic electronic materials and pesticides with enhanced performance characteristics. The fluorine atom's ability to influence intermolecular interactions has been particularly useful in designing molecules with improved stability and reactivity.

The regulatory landscape for fluorinated compounds is continually evolving, reflecting their growing importance in drug development. Agencies such as the U.S. Food and Drug Administration (FDA) and the European Medicines Agency (EMA) have established guidelines to ensure the safe use and disposal of these substances during clinical trials and commercialization. Compliance with these regulations is essential for companies seeking to develop therapies based on compounds like 1-(6-fluoro-3-pyridinyl)-1-Propanone.

Looking ahead, the future prospects for 1-(6-fluoro-3-pyridinyl)-1-Propanone appear highly promising. Ongoing research efforts are focused on expanding its applications across multiple therapeutic areas, including oncology, neurology, and infectious diseases. Collaborative initiatives between academia and industry are expected to yield innovative derivatives with improved pharmacological profiles and clinical potential.

In conclusion,1-(6-fluoro-3-pyridinyl)-1-Propanone (CAS No. 949154-27-2) represents a significant advancement in pharmaceutical chemistry due to its versatile structural framework and biological activity. Its role as a key intermediate in drug development underscores its importance in modern medicinal research. As scientific understanding continues to evolve,this compound will undoubtedly remain at the forefront of efforts aimed at discovering novel therapeutics that address unmet medical needs worldwide.

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