Cas no 89244-48-4 (Pyridine, 2,4,5-trimethyl-3-nitro-)

Pyridine, 2,4,5-trimethyl-3-nitro- structure
89244-48-4 structure
Product Name:Pyridine, 2,4,5-trimethyl-3-nitro-
CAS No:89244-48-4
MF:C8H10N2O2
MW:166.177201747894
CID:606979
PubChem ID:71323073
Update Time:2025-04-19

Pyridine, 2,4,5-trimethyl-3-nitro- Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 2,4,5-trimethyl-3-nitro-
    • 2,4,5-trimethyl-3-nitropyridine
    • DTXSID80752691
    • 89244-48-4
    • Inchi: 1S/C8H10N2O2/c1-5-4-9-7(3)8(6(5)2)10(11)12/h4H,1-3H3
    • InChI Key: YAPQOTYDOUZILG-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(C)=NC=C(C)C=1C)=O

Computed Properties

  • Exact Mass: 166.074227566g/mol
  • Monoisotopic Mass: 166.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 178
  • 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: 1.8
  • Topological Polar Surface Area: 58.7?2

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