Cas no 5782-69-4 (2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile)

2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile structure
5782-69-4 structure
Product Name:2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile
CAS No:5782-69-4
MF:C9H10N2O
MW:162.188501834869
MDL:MFCD14581657
CID:947607
PubChem ID:10583113
Update Time:2025-10-29

2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarbonitrile,1,2-dihydro-6-(1-methylethyl)-2-oxo-(9CI)
    • 1,2-dihydro-6-(1-methylethyl)-2-oxo-3-Pyridinecarbonitrile
    • 6-Isopropyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
    • 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile
    • 2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile
    • EN300-86429
    • 6-Isopropyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
    • 3-Cyano-6-isopropyl-2-hydroxypyridine
    • XQEKXIYVPKTHAB-UHFFFAOYSA-N
    • 6-isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
    • 6-isopropyl-2-oxo-1H-pyridine-3-carbonitrile
    • DTXSID40441998
    • 3-Cyano-6-isopropyl-2(1H)-pyridinone
    • MFCD14581657
    • Z3242012011
    • 2-hydroxy-6-isopropylnicotinonitrile
    • DB-072381
    • 5782-69-4
    • J-518823
    • MD-0713
    • 6-Isopropyl-2-oxo1,2-dihydro-pyridine-3-carbonitrile
    • 6-Isopropyl-2-oxo 1,2-dihydro-pyridine-3-carbonitrile
    • 2-Oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carbonitrile
    • AT21846
    • A18926
    • SB53911
    • AKOS005073598
    • SCHEMBL531211
    • MDL: MFCD14581657
    • Inchi: 1S/C9H10N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6H,1-2H3,(H,11,12)
    • InChI Key: XQEKXIYVPKTHAB-UHFFFAOYSA-N
    • SMILES: O=C1C(C#N)=CC=C(C(C)C)N1

Computed Properties

  • Exact Mass: 162.07900
  • Monoisotopic Mass: 162.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 315
  • 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: 1.3
  • Topological Polar Surface Area: 52.9?2

Experimental Properties

  • PSA: 56.65000
  • LogP: 1.36998

2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile Security Information

  • HazardClass:IRRITANT

2-hydroxy-6-(propan-2-yl)pyridine-3-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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Additional information on 2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile

Comprehensive Guide to 2-Hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile (CAS No. 5782-69-4): Properties, Applications, and Industry Insights

2-Hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile (CAS No. 5782-69-4) is a specialized organic compound with a unique molecular structure that combines a pyridine ring with hydroxyl, isopropyl, and nitrile functional groups. This heterocyclic nitrile derivative has garnered significant attention in pharmaceutical and agrochemical research due to its versatile chemical properties. The compound's systematic name reflects its precise structure: a pyridine-3-carbonitrile backbone substituted at the 2-position with a hydroxyl group and at the 6-position with an isopropyl group.

In recent years, the demand for functionalized pyridine derivatives like 2-hydroxy-6-isopropylnicotinonitrile (an alternative name for this compound) has increased significantly, particularly in the development of novel pharmaceutical intermediates. Researchers are particularly interested in how the hydroxyl-pyridine-carbonitrile structure can serve as a building block for more complex molecules. The compound's molecular formula (C9H10N2O) and weight (162.19 g/mol) make it suitable for various synthetic applications, while its moderate polarity contributes to good solubility in common organic solvents.

The synthesis of 2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile typically involves multi-step organic reactions, with recent advances focusing on more sustainable production methods. Environmental considerations have led to the development of greener synthetic routes that reduce hazardous byproducts - a topic of great interest in modern green chemistry discussions. The compound's stability under normal conditions makes it relatively easy to handle, though proper laboratory precautions should always be observed when working with any chemical substance.

One of the most promising applications of CAS 5782-69-4 lies in medicinal chemistry, where it serves as a precursor for various biologically active compounds. The presence of both hydrogen bond donor (hydroxyl) and acceptor (nitrile) groups in its structure makes it particularly valuable for drug design applications. Recent studies have explored its potential in developing kinase inhibitors and other therapeutic agents, aligning with current pharmaceutical industry trends toward targeted therapies.

In material science, 2-hydroxy-6-isopropyl-3-cyanopyridine has shown potential as a ligand for metal coordination complexes. The compound's ability to form stable complexes with transition metals opens possibilities for catalytic applications, a subject frequently searched by researchers in coordination chemistry. These metal complexes may find use in various industrial processes, including polymerization catalysts and specialty chemical production.

The analytical characterization of 5782-69-4 typically involves techniques such as NMR spectroscopy, mass spectrometry, and HPLC. These methods confirm the compound's purity and identity, which are crucial for research and industrial applications. Recent advancements in analytical chemistry have made these characterizations more precise and accessible, contributing to better quality control in chemical production.

Market trends indicate growing interest in pyridine-based specialty chemicals, with 2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile being part of this expanding sector. The global push for innovative agrochemicals and pharmaceuticals continues to drive demand for such intermediates. Industry analysts predict steady growth in this market segment, particularly in regions with strong pharmaceutical manufacturing capabilities.

From a regulatory perspective, 2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile is not currently classified as hazardous under major chemical regulations when handled properly. However, as with all chemical substances, appropriate safety measures should be followed during handling, storage, and disposal. The compound's safety profile makes it attractive for industrial applications where regulatory compliance is a significant consideration.

Future research directions for CAS No. 5782-69-4 may explore its potential in emerging fields such as metal-organic frameworks (MOFs) or as a component in electronic materials. The compound's structural features offer multiple sites for further functionalization, making it a versatile intermediate for advanced material development. These applications align with current scientific interests in functional materials and nanotechnology.

For researchers and industry professionals seeking high-purity 2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile, several specialty chemical suppliers offer this compound in various quantities. Quality specifications typically include minimum purity levels (often ≥97% or ≥98%) and detailed analytical certificates. The availability of this compound from multiple sources ensures a stable supply chain for research and development purposes.

In conclusion, 2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile (CAS No. 5782-69-4) represents an important building block in modern chemical research and industrial applications. Its unique combination of functional groups and versatile reactivity make it valuable across multiple disciplines, from pharmaceutical development to materials science. As research continues to uncover new applications for this compound, its significance in specialty chemistry is likely to grow, reflecting broader trends in heterocyclic compound utilization and molecular design.

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