Cas no 144061-52-9 (2-(Pyridin-3-ylmethyl)benzonitrile)

2-(Pyridin-3-ylmethyl)benzonitrile is a versatile heterocyclic compound featuring a benzonitrile core substituted with a pyridin-3-ylmethyl group. This structure imparts unique electronic and steric properties, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The pyridine moiety enhances coordination potential, while the nitrile group offers reactivity for further functionalization, such as hydrolysis or reduction. Its rigid aromatic framework contributes to stability, and the compound's solubility in common organic solvents facilitates handling in synthetic applications. This compound is particularly useful in the development of ligands, catalysts, and bioactive molecules, where its balanced lipophilicity and structural diversity are advantageous.
2-(Pyridin-3-ylmethyl)benzonitrile structure
144061-52-9 structure
Product Name:2-(Pyridin-3-ylmethyl)benzonitrile
CAS No:144061-52-9
MF:C13H10N2
MW:194.231902599335
CID:842403
PubChem ID:70700381
Update Time:2025-10-19

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

Names and Identifiers

    • 2-(Pyridin-3-ylmethyl)benzonitrile
    • Benzonitrile, 2-(3-pyridinylMethyl)-
    • 2-(3-pyridinylmethyl)Benzonitrile
    • LogP
    • 2-[(Pyridin-3-yl)methyl]benzonitrile
    • DTXSID60743229
    • 144061-52-9
    • DA-18897
    • SB55269
    • MDL： MFCD14706779
    • Inchi： 1S/C13H10N2/c14-9-13-6-2-1-5-12(13)8-11-4-3-7-15-10-11/h1-7,10H,8H2
    • InChI Key： NAIPFDPNPLRFHF-UHFFFAOYSA-N
    • SMILES： N1C=CC=C(C=1)CC1C=CC=CC=1C#N

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: 240
  • 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

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