Cas no 267413-29-6 (1-methylindazole-6-carbonitrile)

1-Methylindazole-6-carbonitrile is a heterocyclic organic compound featuring a methyl-substituted indazole core with a nitrile functional group at the 6-position. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research, where it serves as a key intermediate for the development of biologically active molecules. The nitrile group enhances reactivity, enabling further functionalization through nucleophilic addition or reduction. Its stable aromatic framework ensures compatibility with a range of reaction conditions. The compound is characterized by high purity and consistent performance, making it suitable for precision synthesis in medicinal chemistry and material science. Proper handling and storage are recommended due to its potential sensitivity to moisture and light.
1-methylindazole-6-carbonitrile structure
267413-29-6 structure
Product Name:1-methylindazole-6-carbonitrile
CAS No:267413-29-6
MF:C9H7N3
MW:157.171981096268
MDL:MFCD12028576
CID:1428331
PubChem ID:22615267
Update Time:2025-06-13

1-methylindazole-6-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-methylindazole-6-carbonitrile
    • AG-B-82748
    • SureCN7431709
    • 1-Methyl-1H-indazole-6-carbonitrile
    • 6-Cyano-1-methyl-1H-indazole
    • 6-cyano-1-methylindazole
    • CTK6I4049
    • MB11525
    • CS-0056110
    • MFCD12028576
    • Z1198343539
    • J-504885
    • DTXSID60626947
    • PS-4794
    • WMKXQAVXMOAOAG-UHFFFAOYSA-N
    • SY128151
    • SCHEMBL7431709
    • 267413-29-6
    • DA-07508
    • AKOS006317728
    • EN300-114547
    • DTXCID80577700
    • MDL: MFCD12028576
    • Inchi: 1S/C9H7N3/c1-12-9-4-7(5-10)2-3-8(9)6-11-12/h2-4,6H,1H3
    • InChI Key: WMKXQAVXMOAOAG-UHFFFAOYSA-N
    • SMILES: N1(C)C2C=C(C#N)C=CC=2C=N1

Computed Properties

  • Exact Mass: 157.063997236g/mol
  • Monoisotopic Mass: 157.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 217
  • 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: 1.8
  • Topological Polar Surface Area: 41.6?2

1-methylindazole-6-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M522345-10mg
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$ 50.00 2022-06-02
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$ 210.00 2022-06-02
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$ 320.00 2022-06-02
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Apollo Scientific
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£54.00 2025-02-20
Apollo Scientific
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eNovation Chemicals LLC
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1-methylindazole-6-carbonitrile Related Literature

Additional information on 1-methylindazole-6-carbonitrile

Comprehensive Overview of 1-Methylindazole-6-carbonitrile (CAS No. 267413-29-6): Properties, Applications, and Industry Insights

1-Methylindazole-6-carbonitrile (CAS No. 267413-29-6) is a specialized organic compound belonging to the indazole family, characterized by its unique nitrile functional group at the 6-position. This heterocyclic compound has garnered significant attention in pharmaceutical and agrochemical research due to its versatile reactivity and potential as a building block for complex molecules. With a molecular formula of C9H7N3, it serves as a critical intermediate in the synthesis of bioactive compounds, particularly those targeting enzyme inhibition and receptor modulation.

The growing demand for 1-methylindazole-6-carbonitrile is closely tied to advancements in drug discovery and medicinal chemistry. Researchers frequently explore its utility in designing small-molecule inhibitors, especially for kinases and GPCRs (G-protein-coupled receptors). Recent studies highlight its role in developing anticancer agents and neuroprotective compounds, aligning with trending topics like precision medicine and targeted therapy. Its nitrile group offers a strategic handle for further derivatization, making it invaluable in high-throughput screening libraries.

From a synthetic perspective, CAS 267413-29-6 is typically prepared via palladium-catalyzed cross-coupling or nucleophilic aromatic substitution reactions. Its crystalline form and stability under ambient conditions make it suitable for scale-up production, addressing industry needs for cost-effective intermediates. Analytical techniques such as HPLC and NMR spectroscopy are routinely employed to verify its purity, a critical factor for regulatory compliance in GMP manufacturing.

Environmental and safety considerations for 1-methylindazole-6-carbonitrile are also pivotal. While not classified as hazardous, proper handling protocols—including PPE (personal protective equipment) and ventilation control—are recommended during lab-scale operations. The compound’s biodegradability profile and low ecotoxicity align with the pharmaceutical industry’s shift toward green chemistry principles, a hot topic in ESG (Environmental, Social, and Governance) discussions.

Market trends indicate rising interest in custom synthesis services for 267413-29-6, driven by pharmaceutical outsourcing and CRDMO (Contract Research, Development, and Manufacturing Organizations). Suppliers often highlight its compatibility with flow chemistry and continuous processing, technologies that dominate Industry 4.0 narratives. Additionally, patent landscapes reveal its inclusion in novel drug candidates for metabolic disorders, reflecting its relevance to personalized healthcare innovations.

In summary, 1-methylindazole-6-carbonitrile (CAS No. 267413-29-6) exemplifies the intersection of structural ingenuity and practical utility in modern chemistry. Its applications span life sciences, material research, and beyond, making it a compound of enduring scientific and commercial value. As research continues to uncover new roles for nitrile-containing heterocycles, this molecule is poised to remain a cornerstone in innovative therapeutic development.

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