Cas no 95891-30-8 (6-Hydroxynicotinonitrile)

6-Hydroxynicotinonitrile is a versatile heterocyclic compound featuring both hydroxyl and nitrile functional groups on a pyridine scaffold. This structure imparts reactivity suitable for applications in pharmaceutical intermediates, agrochemical synthesis, and coordination chemistry. The hydroxyl group enables derivatization through etherification or esterification, while the nitrile moiety offers opportunities for further functionalization via hydrolysis or nucleophilic addition. Its balanced polarity and moderate stability make it a practical building block for constructing complex molecules. The compound is typically handled under standard laboratory conditions, though moisture sensitivity should be considered. Its purity and well-defined structure support reproducible results in synthetic workflows.
6-Hydroxynicotinonitrile structure
6-Hydroxynicotinonitrile structure
Product Name:6-Hydroxynicotinonitrile
CAS No:95891-30-8
MF:C6H4N2O
MW:120.10876083374
MDL:MFCD06656489
CID:799900
PubChem ID:7062197
Update Time:2025-10-17

6-Hydroxynicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-Hydroxynicotinonitrile
    • 3-Pyridinecarbonitrile,6-hydroxy-
    • 6-hydroxy-3-Pyridinecarbonitrile
    • 6-HYDROXYNICOTINONITRILE (3-CYANO-6-HYDROXY PYRIDINE)
    • 3-cyano-6-hydroxypyridine
    • 6-oxo-1,6-dihydropyridine-3-carbonitrile
    • 5-CYANO-2-HYDROXYPYRIDINE
    • 5-CYANO-2(1H)-PYRIDINONE
    • 6-oxo-1H-pyridine-3-carbonitrile
    • 6-hydroxypyridine-3-carbonitrile
    • 6-oxo-1,6-dihydro-3-pyridinecarbonitrile
    • 3-PYRIDINECARBONITRILE, 6-HYDROXY-
    • 3-Pyridinecarbonitrile, 1,6-dihydro-6-oxo-
    • 6-Hydroxy-nicotinonitrile
    • 2-Hydroxy-5-cyanopyridine
    • 6-oxidanylidene-1H-pyridine-3-carbonitrile
    • 5-cyano-2-pyridinone
    • PubChem18529
    • 3-cyano-6
    • 6-Hydroxy-3-pyridinecarbonitrile (ACI)
    • AC-25213
    • Z217164566
    • 94805-52-4
    • DB-080359
    • AKOS005199145
    • 95891-30-8
    • DTXSID70915298
    • 2-HYDROXY-5-CYANO PYRIDINE
    • PB17354
    • EN300-25722
    • 2Z-0721
    • SY168012
    • AKOS005070039
    • MFCD06656489
    • CS-W020390
    • 3-cyano-6-hydroxy-pyridine
    • PS-4874
    • SB10167
    • J-518973
    • 6-oxo-1,6-dihydro-pyridine-3-carbonitrile
    • 6-Hydroxynicotinonitrile, AldrichCPR
    • A845106
    • SCHEMBL197468
    • MDL: MFCD06656489
    • Inchi: 1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)
    • InChI Key: CCQUUHVUQQFTGV-UHFFFAOYSA-N
    • SMILES: N#CC1C=CC(O)=NC=1

Computed Properties

  • Exact Mass: 120.03200
  • Monoisotopic Mass: 120.032362755g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 241
  • 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: 52.9
  • XLogP3: -0.4

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.3±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 332.7±35.0 °C at 760 mmHg
  • Flash Point: 155.0±25.9 °C
  • PSA: 56.91000
  • LogP: 0.65888
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

6-Hydroxynicotinonitrile Security Information

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Additional information on 6-Hydroxynicotinonitrile

6-Hydroxynicotinonitrile: A Comprehensive Overview

6-Hydroxynicotinonitrile, also known by its CAS number CAS No. 95891-30-8, is a compound of significant interest in various scientific and industrial fields. This compound, which belongs to the class of nitriles, has garnered attention due to its unique chemical properties and potential applications in drug discovery, agrochemicals, and materials science. In this article, we will delve into the structural characteristics, synthesis methods, biological activities, and recent advancements associated with 6-Hydroxynicotinonitrile.

The molecular structure of 6-Hydroxynicotinonitrile comprises a pyridine ring with a hydroxyl group at the 6-position and a nitrile group at the 3-position. This arrangement imparts the compound with distinct electronic properties, making it a versatile building block in organic synthesis. The nitrile group is particularly reactive, enabling it to participate in various transformations such as hydrolysis, substitution, and coupling reactions. Recent studies have highlighted the potential of 6-Hydroxynicotinonitrile as a precursor for synthesizing bioactive molecules with anti-inflammatory and antioxidant properties.

The synthesis of CAS No. 95891-30-8 has been explored through multiple routes, including nucleophilic substitution and catalytic hydrogenation. One notable method involves the reaction of nicotinonitrile derivatives with appropriate reducing agents to introduce the hydroxyl group at the 6-position. Researchers have optimized these methods to achieve high yields and purity levels, ensuring scalability for industrial applications. The development of eco-friendly synthesis pathways has also been a focus, aligning with current trends toward sustainable chemistry.

In terms of biological activity, 6-Hydroxynicotinonitrile has demonstrated promising results in preclinical studies. For instance, recent research indicates that this compound exhibits potent anti-proliferative effects against various cancer cell lines. Its ability to modulate key signaling pathways involved in cell growth and apoptosis makes it a compelling candidate for anticancer drug development. Additionally, studies have shown that CAS No. 95891-30-8 possesses antioxidant properties, which could be harnessed in the formulation of nutraceuticals and skincare products.

The application of 6-Hydroxynicotinonitrile extends beyond pharmaceuticals into agrochemicals. Its role as a plant growth regulator has been explored in agricultural research, where it has been shown to enhance crop resilience against environmental stressors such as drought and salinity. This dual functionality underscores the versatility of this compound across diverse industries.

In conclusion, CAS No. 95891-30-8, or 6-Hydroxynicotinonitrile, stands out as a multifaceted compound with immense potential in various scientific domains. Its unique chemical properties, coupled with advancements in synthesis and biological applications, position it as a key player in future innovations. As research continues to uncover new dimensions of its utility, this compound is poised to make significant contributions to both academic and industrial sectors.

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