Cas no 267875-30-9 (4-methyl-5-nitro-pyridine-2-carbonitrile)

4-Methyl-5-nitro-pyridine-2-carbonitrile is a nitropyridine derivative with a nitrile functional group, commonly utilized as a versatile intermediate in organic synthesis and pharmaceutical research. Its structural features, including the electron-withdrawing nitro and nitrile groups, make it valuable for constructing heterocyclic compounds and facilitating nucleophilic substitution reactions. The methyl group at the 4-position enhances its solubility in organic solvents, improving reactivity in diverse synthetic pathways. This compound is particularly useful in the development of agrochemicals, pharmaceuticals, and specialty chemicals due to its ability to serve as a precursor for biologically active molecules. Its stability under standard conditions ensures reliable handling and storage.
4-methyl-5-nitro-pyridine-2-carbonitrile structure
267875-30-9 structure
Product Name:4-methyl-5-nitro-pyridine-2-carbonitrile
CAS No:267875-30-9
MF:C7H5N3O2
MW:163.133500814438
MDL:MFCD07368385
CID:247872
PubChem ID:23000171
Update Time:2025-10-28

4-methyl-5-nitro-pyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Cyano-4-methyl-5-nitropyridine
    • 2-Pyridinecarbonitrile,4-methyl-5-nitro-
    • 4-methyl-5-nitropyridine-2-carbonitrile
    • 2-Cyano-5-nitro-4-picoline
    • 4-Methyl-5-Nitro-2-Pyridinecarbonitrile
    • 4-methyl-5-nitropicolinonitrile
    • PubChem6229
    • 4-methyl-5-nitro-pyridine-2-carbonitrile
    • 2-Pyridinecarbonitrile, 4-methyl-5-nitro-
    • BATZHWWYNGQYHC-UHFFFAOYSA-N
    • FCH855208
    • VP13685
    • 2-Pyridinecarbonitrile,4-met
    • DTXSID90629481
    • PB42434
    • A818603
    • 1352395-39-1
    • 267875-30-9
    • CS-W008623
    • AKOS006287013
    • AM803609
    • DS-0771
    • FT-0652067
    • MFCD07368385
    • SCHEMBL3105120
    • J-509195
    • SY106231
    • DB-008192
    • MDL: MFCD07368385
    • Inchi: 1S/C7H5N3O2/c1-5-2-6(3-8)9-4-7(5)10(11)12/h2,4H,1H3
    • InChI Key: BATZHWWYNGQYHC-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=NC(C#N)=CC=1C)=O

Computed Properties

  • Exact Mass: 163.03800
  • Monoisotopic Mass: 163.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 227
  • 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: 82.5
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.34
  • Boiling Point: 361.8°C at 760 mmHg
  • Flash Point: 172.6°C
  • Refractive Index: 1.57
  • PSA: 82.50000
  • LogP: 1.69308

4-methyl-5-nitro-pyridine-2-carbonitrile Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-methyl-5-nitro-pyridine-2-carbonitrile Production Method

Additional information on 4-methyl-5-nitro-pyridine-2-carbonitrile

Comprehensive Overview of 4-methyl-5-nitro-pyridine-2-carbonitrile (CAS No. 267875-30-9)

4-methyl-5-nitro-pyridine-2-carbonitrile (CAS No. 267875-30-9) is a specialized organic compound widely recognized in pharmaceutical and agrochemical research. This nitropyridine derivative has garnered significant attention due to its unique structural properties and potential applications in drug discovery and material science. The compound's molecular framework, featuring a nitro group and a cyano group on a pyridine ring, makes it a valuable intermediate for synthesizing more complex molecules. Researchers are particularly interested in its reactivity, which enables diverse chemical transformations, including nucleophilic substitutions and reduction reactions.

In recent years, the demand for nitropyridine derivatives like 4-methyl-5-nitro-pyridine-2-carbonitrile has surged, driven by their utility in developing novel therapeutic agents. For instance, similar compounds have been explored as kinase inhibitors or antimicrobial agents, aligning with the growing focus on targeted drug delivery and antibiotic resistance solutions. The compound's CAS No. 267875-30-9 is frequently searched in academic databases and chemical supplier catalogs, reflecting its relevance in modern synthetic chemistry.

From a synthetic perspective, 4-methyl-5-nitro-pyridine-2-carbonitrile is often prepared through nitration and cyanation reactions, with yields optimized for industrial-scale production. Its nitro group can be selectively reduced to an amine, opening pathways to heterocyclic scaffolds prevalent in FDA-approved drugs. This adaptability has positioned the compound as a key building block in medicinal chemistry, especially for projects involving structure-activity relationship (SAR) studies.

Beyond pharmaceuticals, 4-methyl-5-nitro-pyridine-2-carbonitrile finds niche applications in material science, where its electron-withdrawing groups contribute to the design of organic semiconductors and photoactive materials. These applications resonate with current trends in green chemistry and sustainable energy, as researchers seek eco-friendly alternatives to traditional materials. The compound’s thermal stability and solubility profile further enhance its versatility in formulation development.

Analytical characterization of CAS No. 267875-30-9 typically involves techniques like HPLC, NMR spectroscopy, and mass spectrometry, ensuring high purity for research use. Quality control protocols are critical, given the compound’s role in precision synthesis. Suppliers often highlight its ≥98% purity grade, catering to stringent laboratory requirements.

Environmental and safety considerations for 4-methyl-5-nitro-pyridine-2-carbonitrile align with standard laboratory practices. While not classified as hazardous under major regulatory frameworks, proper handling—including ventilation and PPE—is recommended due to its fine particulate nature. This aligns with broader industry shifts toward responsible chemical management and occupational safety.

In summary, 4-methyl-5-nitro-pyridine-2-carbonitrile (CAS No. 267875-30-9) exemplifies the intersection of innovation and practicality in modern chemistry. Its multifaceted applications, from drug discovery to advanced materials, underscore its importance in addressing contemporary scientific challenges. As interest grows in small-molecule therapeutics and functional materials, this compound is poised to remain a staple in research pipelines worldwide.

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