Cas no 112809-49-1 (4-(Pyridin-3-ylmethyl)benzonitrile)

4-(Pyridin-3-ylmethyl)benzonitrile is a versatile organic compound featuring a pyridine and benzonitrile moiety linked by a methylene bridge. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing heterocyclic frameworks. Its aromatic pyridine and nitrile functionalities offer reactivity for further derivatization, including nucleophilic substitutions and cyclization reactions. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined molecular architecture is advantageous for applications in medicinal chemistry, where it serves as a precursor for bioactive molecules. The purity and consistent quality of 4-(Pyridin-3-ylmethyl)benzonitrile ensure reliable performance in research and industrial processes.
4-(Pyridin-3-ylmethyl)benzonitrile structure
112809-49-1 structure
Product Name:4-(Pyridin-3-ylmethyl)benzonitrile
CAS No:112809-49-1
MF:C13H10N2
MW:194.231902599335
CID:842630
PubChem ID:14231168
Update Time:2025-05-27

4-(Pyridin-3-ylmethyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(Pyridin-3-ylmethyl)benzonitrile
    • 4-(3-pyridinylmethyl)Benzonitrile
    • Benzonitrile, 4-(3-pyridinylmethyl)-
    • 4-(3-pyridylmethyl)benzonitrile
    • 4-(3-pyridylmethyl)-benzonitrile
    • 4-(pyridin-3-ylmethyl)-benzonitrile
    • AGN-PC-000SAH
    • AK-38472
    • ANW-59392
    • CTK8B8136
    • KB-239212
    • SureCN1507736
    • DB-060246
    • SCHEMBL1507736
    • BSYVIJZXPRACHS-UHFFFAOYSA-N
    • 4-[(Pyridin-3-yl)methyl]benzonitrile
    • DTXSID10557752
    • 112809-49-1
    • MDL： MFCD14706785
    • Inchi： 1S/C13H10N2/c14-9-12-5-3-11(4-6-12)8-13-2-1-7-15-10-13/h1-7,10H,8H2
    • InChI Key： BSYVIJZXPRACHS-UHFFFAOYSA-N
    • SMILES： N1C=CC=C(C=1)CC1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 194.0845
  • Monoisotopic Mass: 194.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 2.5
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • PSA: 36.68

4-(Pyridin-3-ylmethyl)benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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 112809-49-1 95%
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