Cas no 36057-45-1 (3,5-Dimethoxy-pyridine-2-carbonitrile)

3,5-Dimethoxy-pyridine-2-carbonitrile structure
36057-45-1 structure
Product Name:3,5-Dimethoxy-pyridine-2-carbonitrile
CAS No:36057-45-1
MF:C8H8N2O2
MW:164.161321640015
MDL:MFCD18255817
CID:1023976
PubChem ID:45480234
Update Time:2025-04-20

3,5-Dimethoxy-pyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dimethoxypicolinonitrile
    • 3,5-dimethoxy-2-Pyridinecarbonitrile
    • 3,5-dimethoxypyridine-2-carbonitrile
    • 3,5-Dimethoxy-pyridine-2-carbonitrile
    • DB-293949
    • D71934
    • CS-16406
    • CS-0097050
    • 36057-45-1
    • Z1255418789
    • AKOS016003986
    • SCHEMBL362305
    • MFCD18255817
    • DTXSID50670257
    • LJXBVWYMXUENCW-UHFFFAOYSA-N
    • EN300-2533328
    • MDL: MFCD18255817
    • Inchi: 1S/C8H8N2O2/c1-11-6-3-8(12-2)7(4-9)10-5-6/h3,5H,1-2H3
    • InChI Key: LJXBVWYMXUENCW-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C#N)=NC=C(C=1)OC

Computed Properties

  • Exact Mass: 164.05864
  • Monoisotopic Mass: 164.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 187
  • 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: 0.8
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.14

3,5-Dimethoxy-pyridine-2-carbonitrile Pricemore >>

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