Cas no 54957-81-2 (3-Cyano-2-ethoxy-6-methylpyridine)

3-Cyano-2-ethoxy-6-methylpyridine structure
54957-81-2 structure
Product Name:3-Cyano-2-ethoxy-6-methylpyridine
CAS No:54957-81-2
MF:C9H10N2O
MW:162.188501834869
CID:1080216
PubChem ID:10964826
Update Time:2025-04-20

3-Cyano-2-ethoxy-6-methylpyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Cyano-2-ethoxy-6-methylpyridine
    • SCHEMBL10371014
    • 54957-81-2
    • DB-315305
    • 2-ethoxy-6-methyl-nicotinonitrile
    • AKOS010918524
    • Inchi: 1S/C9H10N2O/c1-3-12-9-8(6-10)5-4-7(2)11-9/h4-5H,3H2,1-2H3
    • InChI Key: DEIPEASEZNGTSV-UHFFFAOYSA-N
    • SMILES: O(CC)C1C(C#N)=CC=C(C)N=1

Computed Properties

  • Exact Mass: 162.079312947g/mol
  • 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: 1.6
  • Topological Polar Surface Area: 45.9?2
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