Cas no 1268095-80-2 (5-(3-Methoxyphenyl)nicotinonitrile)

5-(3-Methoxyphenyl)nicotinonitrile is a versatile heterocyclic compound featuring a nicotinonitrile core substituted with a 3-methoxyphenyl group. This structure imparts unique electronic and steric properties, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. Its nitrile functionality offers reactivity for further derivatization, while the methoxyphenyl moiety enhances solubility and modulates binding interactions in target molecules. The compound is particularly useful in the development of kinase inhibitors and other bioactive molecules due to its ability to engage in hydrogen bonding and π-π stacking. High purity and consistent quality ensure reliable performance in research and industrial applications.
5-(3-Methoxyphenyl)nicotinonitrile structure
1268095-80-2 structure
Product Name:5-(3-Methoxyphenyl)nicotinonitrile
CAS No:1268095-80-2
MF:C13H10N2O
MW:210.23130273819
CID:1033638
PubChem ID:71303503
Update Time:2025-05-27

5-(3-Methoxyphenyl)nicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-(3-Methoxyphenyl)nicotinonitrile
    • 5-(3-methoxyphenyl)pyridine-3-carbonitrile
    • DB-295699
    • J-516178
    • DTXSID40744976
    • A1-53476
    • 1268095-80-2
    • Inchi： 1S/C13H10N2O/c1-16-13-4-2-3-11(6-13)12-5-10(7-14)8-15-9-12/h2-6,8-9H,1H3
    • InChI Key： GNEHPQKVOLJGFU-UHFFFAOYSA-N
    • SMILES： O(C)C1=CC=CC(=C1)C1C=NC=C(C#N)C=1

Computed Properties

  • Exact Mass: 210.079312947g/mol
  • Monoisotopic Mass: 210.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 270
  • 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: 2.2
  • Topological Polar Surface Area: 45.9?2

5-(3-Methoxyphenyl)nicotinonitrile Pricemore >>

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