Cas no 1016812-22-8 (3-Cyano-2-cyclohexyloxypyridine)

3-Cyano-2-cyclohexyloxypyridine is a heterocyclic compound featuring a pyridine core substituted with a cyano group at the 3-position and a cyclohexyloxy moiety at the 2-position. This structure imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. The cyano group enhances reactivity for further functionalization, while the cyclohexyloxy substituent contributes to lipophilicity and steric hindrance, influencing binding affinity in medicinal chemistry applications. Its stability under various reaction conditions and compatibility with cross-coupling reactions make it suitable for constructing complex molecular architectures. The compound's distinct substitution pattern also offers potential as a ligand or scaffold in catalysis and drug discovery.
3-Cyano-2-cyclohexyloxypyridine structure
1016812-22-8 structure
Product Name:3-Cyano-2-cyclohexyloxypyridine
CAS No:1016812-22-8
MF:C12H14N2O
MW:202.252362728119
MDL:MFCD09943149
CID:1130339
PubChem ID:24703886
Update Time:2025-07-02

3-Cyano-2-cyclohexyloxypyridine Chemical and Physical Properties

Names and Identifiers

    • 2-cyclohexyloxypyridine-3-carbonitrile
    • 3-Cyano-2-cyclohexyloxypyridine
    • 2-Cyclohexyloxy-nicotinonitrile
    • 2-(cyclohexyloxy)nicotinonitrile
    • 2-(Cyclohexyloxy)pyridine-3-carbonitrile
    • DB-058643
    • 1016812-22-8
    • MFCD09943149
    • SB30131
    • AKOS000187427
    • CS-0325488
    • DTXSID30640897
    • 3-Cyano-2-cyclohexyloxypyridine, 97+%
    • MDL: MFCD09943149
    • Inchi: 1S/C12H14N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2
    • InChI Key: VVMPGKGYTJRBCO-UHFFFAOYSA-N
    • SMILES: O(C1C(C#N)=CC=CN=1)C1CCCCC1

Computed Properties

  • Exact Mass: 202.110613074g/mol
  • Monoisotopic Mass: 202.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 239
  • 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: 2.7
  • Topological Polar Surface Area: 45.9?2

3-Cyano-2-cyclohexyloxypyridine Pricemore >>

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Additional information on 3-Cyano-2-cyclohexyloxypyridine

Comprehensive Overview of 3-Cyano-2-cyclohexyloxypyridine (CAS No. 1016812-22-8): Properties, Applications, and Industry Insights

3-Cyano-2-cyclohexyloxypyridine (CAS No. 1016812-22-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique molecular structure. The compound features a pyridine ring substituted with a cyano group at the 3-position and a cyclohexyloxy group at the 2-position, making it a versatile intermediate for synthesizing bioactive molecules. Its CAS number 1016812-22-8 is frequently searched in chemical databases, reflecting its growing relevance in drug discovery and material science.

In recent years, the demand for high-purity intermediates like 3-Cyano-2-cyclohexyloxypyridine has surged, driven by advancements in small-molecule therapeutics and precision agriculture. Researchers are particularly interested in its potential as a building block for kinase inhibitors and other targeted therapies, aligning with the trend toward personalized medicine. The compound’s lipophilic properties, attributed to the cyclohexyl moiety, enhance its bioavailability—a critical factor in modern drug design.

Synthetic routes to 3-Cyano-2-cyclohexyloxypyridine often involve Pd-catalyzed cross-coupling or nucleophilic aromatic substitution, topics frequently queried in academic forums. Optimizing these methods for scalability and green chemistry compliance remains a focus, especially as industries prioritize sustainable synthesis. Analytical techniques such as HPLC and NMR spectroscopy are essential for verifying the compound’s purity, another common search theme among quality control professionals.

Beyond pharmaceuticals, 3-Cyano-2-cyclohexyloxypyridine is explored in electronic materials for its potential in organic semiconductors. Its conjugated system and electron-withdrawing cyano group contribute to charge transport properties, a hot topic in flexible electronics research. Startups and academic labs increasingly seek this compound for prototyping next-gen OLEDs or sensors, reflecting broader interest in smart materials.

Regulatory and safety profiles of CAS 1016812-22-8 are also widely discussed. While not classified as hazardous under major chemical inventories, proper handling guidelines—such as using PPE and fume hoods—are emphasized in safety data sheets (SDS). These precautions align with global lab safety trends, a recurring search topic since the pandemic heightened awareness of occupational health.

Market analysts note rising procurement of 3-Cyano-2-cyclohexyloxypyridine by contract research organizations (CROs) and generic drug manufacturers, particularly in Asia-Pacific regions. This trend correlates with queries about bulk suppliers and custom synthesis services, underscoring the compound’s commercial viability. Patent landscapes reveal its inclusion in novel formulations for metabolic diseases, further driving R&D interest.

In summary, 3-Cyano-2-cyclohexyloxypyridine (CAS No. 1016812-22-8) exemplifies the intersection of cutting-edge chemistry and industrial demand. Its applications span life sciences and advanced materials, while synthesis and safety discussions reflect evolving industry priorities. As research progresses, this compound is poised to remain a keystone intermediate in innovation-driven sectors.

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