Cas no 149379-73-7 (2-Methoxy-5-methylnicotinonitrile)

2-Methoxy-5-methylnicotinonitrile is a versatile heterocyclic compound featuring a nitrile functional group and methoxy substitution on a pyridine ring. This structure lends itself to applications in pharmaceutical and agrochemical synthesis, where it serves as a key intermediate for constructing more complex molecules. Its reactivity, particularly at the nitrile and methoxy positions, enables selective modifications, making it valuable for derivatization in medicinal chemistry. The compound exhibits stability under standard handling conditions, ensuring reliable performance in synthetic workflows. Its well-defined chemical properties facilitate precise incorporation into target structures, supporting research and development efforts in drug discovery and specialty chemical production.
2-Methoxy-5-methylnicotinonitrile structure
149379-73-7 structure
Product Name:2-Methoxy-5-methylnicotinonitrile
CAS No:149379-73-7
MF:C8H8N2O
MW:148.16192150116
MDL:MFCD13563068
CID:100627
PubChem ID:45079856
Update Time:2025-08-05

2-Methoxy-5-methylnicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Methoxy-5-methylnicotinonitrile
    • 3-Pyridinecarbonitrile,2-methoxy-5-methyl-
    • 3-Pyridinecarbonitrile,2-methoxy-5-methyl-(9CI)
    • CS-0081684
    • 149379-73-7
    • SCHEMBL15046199
    • 2-Methoxy-5-methylnicotinonitrile, AldrichCPR
    • SB53241
    • AKOS006336479
    • DTXSID50663806
    • ZFA37973
    • D74382
    • MFCD13563068
    • 2-methoxy-5-methylpyridine-3-carbonitrile
    • BS-27487
    • MDL: MFCD13563068
    • Inchi: 1S/C8H8N2O/c1-6-3-7(4-9)8(11-2)10-5-6/h3,5H,1-2H3
    • InChI Key: CZKDMJBSPOUACB-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C#N)=CC(C)=CN=1

Computed Properties

  • Exact Mass: 148.06400
  • Monoisotopic Mass: 148.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 172
  • 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: 1.2
  • Topological Polar Surface Area: 45.9A^2

Experimental Properties

  • PSA: 45.91000
  • LogP: 1.27028

2-Methoxy-5-methylnicotinonitrile 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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2-Methoxy-5-methylnicotinonitrile Production Method

Additional information on 2-Methoxy-5-methylnicotinonitrile

Introduction to 2-Methoxy-5-methylnicotinonitrile (CAS No. 149379-73-7)

2-Methoxy-5-methylnicotinonitrile, identified by its Chemical Abstracts Service (CAS) number 149379-73-7, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the nicotinamide derivatives family, a class of molecules known for their diverse biological activities and potential therapeutic applications. The structural features of 2-Methoxy-5-methylnicotinonitrile, including its methoxy and methyl substituents, contribute to its unique chemical properties and reactivity, making it a valuable scaffold for drug discovery and synthetic chemistry.

The significance of 2-Methoxy-5-methylnicotinonitrile lies in its potential as a precursor or intermediate in the synthesis of more complex pharmacologically active agents. Researchers have been exploring its utility in developing novel compounds that target various biological pathways, particularly those involved in neurological disorders, inflammation, and metabolic diseases. The presence of a nitrile group in its molecular structure enhances its versatility, enabling further functionalization through chemical transformations such as hydrolysis or reduction.

In recent years, there has been growing interest in nicotinamide derivatives due to their reported interactions with enzymes and receptors that play crucial roles in cellular signaling. 2-Methoxy-5-methylnicotinonitrile has been studied for its potential to modulate these interactions, offering a promising avenue for the development of new therapeutic strategies. For instance, preliminary studies suggest that derivatives of this compound may exhibit inhibitory effects on certain enzymes implicated in cancer progression, making it a candidate for further investigation in oncology research.

The synthesis of 2-Methoxy-5-methylnicotinonitrile typically involves multi-step organic reactions, often starting from readily available nicotinic acid derivatives. The methoxy and methyl groups are introduced through selective substitution reactions, which require careful control of reaction conditions to ensure high yield and purity. Advances in synthetic methodologies have enabled more efficient production processes, allowing researchers to access larger quantities of this compound for detailed biological evaluation.

Biological activity is a key focus when studying 2-Methoxy-5-methylnicotinonitrile. Its structural analogs have shown promise in preclinical models as potential leads for treating conditions such as neurodegenerative diseases and autoimmune disorders. The methoxy group can influence the compound's solubility and metabolic stability, while the methyl group may affect binding affinity to biological targets. These factors are critical in determining the compound's efficacy and pharmacokinetic profile.

One of the most compelling aspects of 2-Methoxy-5-methylnicotinonitrile is its role in exploring new chemical spaces for drug development. By modifying its core structure, researchers can generate libraries of derivatives with tailored properties for specific therapeutic applications. This approach aligns with the growing trend toward structure-based drug design, where computational modeling and high-throughput screening are used to identify promising candidates.

The nitrile group in 2-Methoxy-5-methylnicotinonitrile also presents opportunities for further chemical manipulation. It can be converted into other functional groups such as carboxamides or amides through hydrolysis or reduction reactions, expanding the range of possible derivatives. These transformations are essential for optimizing pharmacological properties, including bioavailability and target specificity.

Recent advancements in analytical techniques have improved our ability to study the behavior of 2-Methoxy-5-methylnicotinonitrile both in vitro and in vivo. Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography provide detailed insights into its molecular structure and interactions with biological targets. These tools are indispensable for validating hypotheses about its mechanism of action and potential therapeutic benefits.

The pharmaceutical industry has taken note of the potential of 2-Methoxy-5-methylnicotinonitrile as a building block for novel drugs. Several companies are actively investigating its derivatives as part of their drug discovery programs. Collaborations between academic researchers and industry scientists have accelerated progress by combining expertise in synthetic chemistry with insights from medicinal chemistry.

In conclusion, 2-Methoxy-5-methylnicotinonitrile (CAS No. 149379-73-7) represents a significant compound in the realm of pharmaceutical research due to its structural complexity and potential biological activities. Its role as a precursor or intermediate underscores its importance in developing innovative therapeutics targeting neurological disorders, inflammation, and other diseases. As research continues to uncover new applications for this molecule, it is likely to remain a cornerstone of drug discovery efforts across multiple disciplines.

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