Cas no 103698-09-5 (3-nitro-4-Pyridinecarbonitrile)

3-nitro-4-Pyridinecarbonitrile structure
103698-09-5 structure
Product Name:3-nitro-4-Pyridinecarbonitrile
CAS No:103698-09-5
MF:C6H3N3O2
MW:149.106920480728
CID:125792
PubChem ID:15500599
Update Time:2025-09-20

3-nitro-4-Pyridinecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-nitro-4-Pyridinecarbonitrile
    • 4-cyano-3-nitropyridine
    • 3-nitropyridine-4-carbonitrile
    • 4-Pyridinecarbonitrile,3-nitro-
    • 3-Nitroisonicotinonitrile
    • 4-Pyridinecarbonitrile,3-nitro-(9CI)
    • SB54041
    • FT-0755398
    • 103698-09-5
    • AKOS015891957
    • DTXSID701306127
    • DA-48176
    • Inchi: 1S/C6H3N3O2/c7-3-5-1-2-8-4-6(5)9(10)11/h1-2,4H
    • InChI Key: WQSGWOANQDEUHL-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=NC=CC=1C#N)=O

Computed Properties

  • Exact Mass: 149.02259
  • Monoisotopic Mass: 149.022526347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 202
  • 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: 0.4
  • Topological Polar Surface Area: 82.5?2

Experimental Properties

  • PSA: 79.82
  • LogP: 1.38468

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