Cas no 4350-51-0 (3-(Pyridin-2-yl)benzonitrile)

3-(Pyridin-2-yl)benzonitrile structure
3-(Pyridin-2-yl)benzonitrile structure
Product Name:3-(Pyridin-2-yl)benzonitrile
CAS No:4350-51-0
MF:C12H8N2
MW:180.205322265625
CID:1095552
PubChem ID:4674258
Update Time:2025-04-24

3-(Pyridin-2-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(Pyridin-2-yl)benzonitrile
    • 3-(2-Pyridinyl)benzonitrile
    • Benzonitrile,3-(2-pyridinyl)-
    • 2-(3-cyanophenyl)pyridine
    • 2-(3-cyanophenyl)-pyridine
    • 3-(2-pyridinyl)benzoic acid
    • 3-(2-Pyridyl)-benzoesaeure
    • 3-(2-pyridyl)benzoic acid
    • 3-(pyridin-2-yl)benzoic acid
    • 3-(pyridine-2-yl)benzonitrile
    • 3-pyrid-2-ylbenzoic acid
    • 3-PYRIDIN-2-YL-BENZOIC ACID
    • 3-pyridin-2-ylbenzonitrile
    • AC1NP7FE
    • AG-F-56580
    • SBB052791
    • SureCN207017
    • SCHEMBL1133442
    • XGOHIDPYTAHUIW-UHFFFAOYSA-N
    • AKOS004117416
    • SB54517
    • DS-016525
    • 4350-51-0
    • Inchi: 1S/C12H8N2/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-14-12/h1-8H
    • InChI Key: XGOHIDPYTAHUIW-UHFFFAOYSA-N
    • SMILES: N1C=CC=CC=1C1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 180.06884
  • Monoisotopic Mass: 180.068748264g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 228
  • 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: 2.3
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • PSA: 36.68

3-(Pyridin-2-yl)benzonitrile Pricemore >>

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Additional information on 3-(Pyridin-2-yl)benzonitrile

3-(Pyridin-2-yl)benzonitrile: A Comprehensive Overview

3-(Pyridin-2-yl)benzonitrile, also known by its CAS registry number 4350-51-0, is a synthetic organic compound that has garnered significant attention in the fields of pharmaceuticals, chemistry, and materials science. This article delves into the structure, synthesis, applications, and recent advancements associated with this versatile compound.

The molecular framework of 3-(Pyridin-2-yl)benzonitrile consists of a benzene ring substituted at the meta position by a pyridine moiety (specifically at position 2 of the pyridine ring) and a nitrile group. This unique combination renders the compound highly suitable for various chemical reactions and biological applications, including drug discovery and materials development.

Recent studies have highlighted the potential of Pyridin-2-yl substituents in enhancing the electronic and steric properties of aromatic systems. This makes 3-(Pyridin-2-yl)benzonitrile a valuable building block for designing novel drugs and materials with tailored functionalities. For instance, its nitrile group provides excellent electron-withdrawing capabilities, which can be exploited in medicinal chemistry to modulate bioactivity.

In the realm of drug discovery, research has focused on the use of benzonitrile derivatives as potential inhibitors in various disease models. The pyridine moiety further adds layers of complexity by contributing to both electronic and steric effects, which can be fine-tuned for specific therapeutic targets. Recent advancements have demonstrated that this compound exhibits promising activity in experimental models of inflammation and cancer, underscoring its potential as a lead molecule in drug development.

Furthermore, the synthesis of 3-(Pyridin-2-yl)benzonitrile has been optimized to enhance yield and reduce environmental impact. Modern chemical methodologies, including catalytic cross-coupling reactions and green chemistry principles, have been employed to achieve efficient and sustainable production. These advancements not only improve the accessibility of the compound but also align with global efforts toward environmentally responsible manufacturing.

Another area of active research is the application of benzonitrile derivatives in materials science. The combination of aromatic stability and functional groups like nitriles renders these compounds suitable for use in polymer chemistry, electronics, and nanotechnology. For example, studies have explored the use of 3-(Pyridin-2-yl)benzonitrile as a precursor for conducting polymers and metal-organic frameworks (MOFs), highlighting its versatility in materials design.

In conclusion, 3-(Pyridin-2-yl)benzonitrile, with CAS registry number 4350-51-0, stands out as a multifaceted compound with wide-ranging applications in pharmaceuticals and materials science. Ongoing research continues to uncover new potentials for this compound, solidifying its importance in contemporary chemical and biomedical research.

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