Cas no 194278-44-9 (1-(3-nitro-2-pyridyl)ethanone)

1-(3-Nitro-2-pyridyl)ethanone is a nitro-substituted pyridyl ketone compound with significant utility in organic synthesis and pharmaceutical research. Its structure, featuring a nitro group at the 3-position of the pyridine ring and an acetyl group at the 2-position, makes it a versatile intermediate for constructing heterocyclic frameworks. The electron-withdrawing nitro group enhances reactivity in nucleophilic substitution and reduction reactions, enabling its use in the preparation of amines, amides, and other functionalized derivatives. This compound is particularly valuable in medicinal chemistry for developing bioactive molecules due to its compatibility with diverse synthetic transformations. High purity and stability further ensure reliable performance in laboratory and industrial applications.
1-(3-nitro-2-pyridyl)ethanone structure
1-(3-nitro-2-pyridyl)ethanone structure
Product Name:1-(3-nitro-2-pyridyl)ethanone
CAS No:194278-44-9
MF:C7H6N2O3
MW:166.13414144516
MDL:MFCD18904525
CID:116557
PubChem ID:19034739
Update Time:2025-05-22

1-(3-nitro-2-pyridyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(3-nitro-2-pyridinyl)-
    • 1-(3-Nitropyridin-2-yl)ethanone
    • 1-(3-NITROPYRIDIN-2-YL)ETHAN-1-ONE
    • 2-ACETYL-3-NITROPYRIDINE
    • Ethanone, 1-(3-nitro-2-pyridinyl)- (9CI)
    • UOSQCJBQCZOILA-UHFFFAOYSA-N
    • FCH1011205
    • PB30354
    • AK185428
    • AX8264075
    • 1-(3-nitro-2-pyridyl)ethanone
    • SCHEMBL3381186
    • Ethanone,1-(3-nitro-2-pyridinyl)-(9ci)
    • CS-0043822
    • AKOS025403742
    • MFCD18904525
    • DS-10043
    • 194278-44-9
    • P12498
    • DB-287038
    • Ethanone, 1-(3-nitro-2-pyridinyl)-
    • MDL: MFCD18904525
    • Inchi: 1S/C7H6N2O3/c1-5(10)7-6(9(11)12)3-2-4-8-7/h2-4H,1H3
    • InChI Key: UOSQCJBQCZOILA-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C(=CC=CN=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 166.03800
  • Monoisotopic Mass: 166.03784206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 199
  • 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: 75.8
  • XLogP3: 0.7

Experimental Properties

  • PSA: 75.78000
  • LogP: 1.71560

1-(3-nitro-2-pyridyl)ethanone Pricemore >>

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1-(3-nitro-2-pyridyl)ethanone Production Method

Additional information on 1-(3-nitro-2-pyridyl)ethanone

1-(3-Nitro-2-Pyridyl)Ethanone: A Comprehensive Overview

The compound 1-(3-nitro-2-pyridyl)ethanone, identified by the CAS number 194278-44-9, is a notable organic compound with significant applications in various fields. This compound is characterized by its unique structure, which includes a pyridine ring substituted with a nitro group at the 3-position and an ethanone group at the 2-position. The combination of these functional groups imparts distinctive chemical properties, making it a subject of interest in both academic and industrial research.

Recent studies have highlighted the potential of 1-(3-nitro-2-pyridyl)ethanone in the field of medicinal chemistry. Researchers have explored its role as a precursor in the synthesis of bioactive molecules, particularly in the development of anti-cancer agents. The nitro group, known for its electron-withdrawing properties, plays a crucial role in modulating the electronic environment of the molecule, enhancing its reactivity in various reactions. This makes it an ideal candidate for use in drug design and discovery processes.

In addition to its medicinal applications, 1-(3-nitro-2-pyridyl)ethanone has also found utility in materials science. Its ability to form stable complexes with metal ions has been leveraged in the synthesis of coordination polymers and metal-organic frameworks (MOFs). These materials exhibit exceptional properties, such as high surface area and tunable pore sizes, which are valuable in catalysis, gas storage, and sensing applications.

The synthesis of 1-(3-nitro-2-pyridyl)ethanone typically involves a multi-step process that begins with the preparation of the pyridine derivative. Recent advancements in synthetic methodologies have enabled more efficient and environmentally friendly routes to this compound. For instance, researchers have employed microwave-assisted synthesis to accelerate reaction times while minimizing energy consumption. Such approaches align with the growing emphasis on sustainable chemical practices.

The electronic properties of 1-(3-nitro-2-pyridyl)ethanone have been extensively studied using computational chemistry techniques. These studies have provided insights into its molecular orbitals and reactivity patterns, which are critical for understanding its behavior in various chemical reactions. The compound's ability to act as both an electrophile and nucleophile makes it versatile in organic transformations.

In terms of environmental applications, 1-(3-nitro-2-pyridyl)ethanone has been investigated for its potential role in pollution control. Its ability to adsorb heavy metal ions from aqueous solutions has been demonstrated, suggesting its use in water treatment technologies. This application underscores the compound's versatility and its relevance to addressing global environmental challenges.

The study of CAS No 194278-44-9 continues to evolve, with ongoing research exploring its potential in emerging fields such as nanotechnology and green chemistry. Its unique combination of functional groups and reactivity makes it a valuable tool for scientists seeking innovative solutions across diverse disciplines.

In conclusion, 1-(3-nitro-2-pyridyl)ethanone, or CAS No 194278-44-9, stands out as a versatile compound with significant implications for modern chemistry. From drug discovery to materials science and environmental applications, this compound continues to be a focal point for cutting-edge research. As our understanding of its properties deepens, new opportunities for its utilization are expected to emerge, further solidifying its importance in the chemical landscape.

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