Cas no 139549-01-2 (5-ethyl-2-methoxy-3-Pyridinecarbonitrile)

5-ethyl-2-methoxy-3-Pyridinecarbonitrile structure
139549-01-2 structure
Product Name:5-ethyl-2-methoxy-3-Pyridinecarbonitrile
CAS No:139549-01-2
MF:C9H10N2O
MW:162.188501834869
CID:1105716
PubChem ID:10057828
Update Time:2025-04-20

5-ethyl-2-methoxy-3-Pyridinecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-ethyl-2-methoxy-3-Pyridinecarbonitrile
    • 5-ethyl-2-methoxynicotinonitrile
    • SCHEMBL9846240
    • 139549-01-2
    • DA-20998
    • Inchi: 1S/C9H10N2O/c1-3-7-4-8(5-10)9(12-2)11-6-7/h4,6H,3H2,1-2H3
    • InChI Key: BUGDYYJRRFRLSO-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C#N)C=C(C=N1)CC

Computed Properties

  • Exact Mass: 162.0794
  • Monoisotopic Mass: 162.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 184
  • 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: 1.7
  • Topological Polar Surface Area: 45.9?2

Experimental Properties

  • PSA: 45.91
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