Cas no 55218-69-4 (Pyridine, 2-methyl-4-(4-nitrophenyl)-)

Pyridine, 2-methyl-4-(4-nitrophenyl)- structure
55218-69-4 structure
Product Name:Pyridine, 2-methyl-4-(4-nitrophenyl)-
CAS No:55218-69-4
MF:C12H10N2O2
MW:214.220002651215
CID:352526
PubChem ID:12217647
Update Time:2025-04-19

Pyridine, 2-methyl-4-(4-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 2-methyl-4-(4-nitrophenyl)-
    • 2-methyl-4-(4-nitrophenyl)pyridine
    • SCHEMBL2627195
    • 55218-69-4
    • DTXSID80480942
    • Inchi： 1S/C12H10N2O2/c1-9-8-11(6-7-13-9)10-2-4-12(5-3-10)14(15)16/h2-8H,1H3
    • InChI Key： AYTGWDJKOUDXKZ-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(=CC=1)C1C=CN=C(C)C=1)=O

Computed Properties

  • Exact Mass: 214.0743
  • Monoisotopic Mass: 214.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 244
  • 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: 2.7
  • Topological Polar Surface Area: 58.7?2

Experimental Properties

  • PSA: 56.03

Pyridine, 2-methyl-4-(4-nitrophenyl)- Related Literature

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