Cas no 485828-46-4 (1-(2-pyridyl)cyclobutanecarbonitrile)

1-(2-Pyridyl)cyclobutanecarbonitrile is a specialized heterocyclic compound featuring a pyridine moiety fused with a cyclobutane ring and a nitrile functional group. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals and agrochemicals. The presence of both the pyridine and nitrile groups enhances its utility in cross-coupling reactions, cyclizations, and as a precursor for heterocyclic scaffolds. Its rigid cyclobutane backbone contributes to steric constraints, enabling selective transformations. The compound is typically used in research settings where precise molecular architecture is required for target-oriented synthesis. Proper handling and storage under inert conditions are recommended due to its sensitivity.
1-(2-pyridyl)cyclobutanecarbonitrile structure
485828-46-4 structure
Product Name:1-(2-pyridyl)cyclobutanecarbonitrile
CAS No:485828-46-4
MF:C10H10N2
MW:158.199801921844
MDL:MFCD16622259
CID:1032470
PubChem ID:52988135
Update Time:2025-06-07

1-(2-pyridyl)cyclobutanecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(Pyridin-2-yl)cyclobutanecarbonitrile
    • 1-(2-Pyridinyl)cyclobutanecarbonitrile
    • 1-(2-PYRIDINYL)-CYCLOBUTANECARBONITRILE
    • 1-Pyridin-2-ylcyclobutanecarbonitrile
    • 1-pyridin-2-yl-cyclobutanecarbonitrile
    • AK-38325
    • KB-08499
    • SureCN626328
    • 1-(2-pyridyl)cyclobutanecarbonitrile
    • DB-002267
    • AKOS016011543
    • CS-0214903
    • SCHEMBL626328
    • EN300-202731
    • 1-pyridin-2-ylcyclobutane-1-carbonitrile
    • TS-02108
    • ZIERJKUZAYDTGS-UHFFFAOYSA-N
    • MFCD16622259
    • 1-(Pyridin-2-yl)cyclobutane-1-carbonitrile
    • SB54134
    • 485828-46-4
    • DTXSID10681046
    • Z1255444832
    • MDL: MFCD16622259
    • Inchi: 1S/C10H10N2/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h1-2,4,7H,3,5-6H2
    • InChI Key: ZIERJKUZAYDTGS-UHFFFAOYSA-N
    • SMILES: N1C=CC=CC=1C1(C#N)CCC1

Computed Properties

  • Exact Mass: 158.0845
  • Monoisotopic Mass: 158.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 209
  • 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: 1.4
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Density: 1.12±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 319.9±25.0 oC (760 Torr),
  • Flash Point: 114.6±8.3 oC,
  • Solubility: Slightly soluble (3.8 g/l) (25 o C),
  • PSA: 36.68

1-(2-pyridyl)cyclobutanecarbonitrile Pricemore >>

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