Cas no 52583-68-3 (2-Pyridinecarboxaldehyde, 4-(3-nitrophenyl)-)

2-Pyridinecarboxaldehyde, 4-(3-nitrophenyl)- structure
52583-68-3 structure
Product Name:2-Pyridinecarboxaldehyde, 4-(3-nitrophenyl)-
CAS No:52583-68-3
MF:C12H8N2O3
MW:228.20352268219
CID:359295
PubChem ID:71365581
Update Time:2025-04-19

2-Pyridinecarboxaldehyde, 4-(3-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarboxaldehyde, 4-(3-nitrophenyl)-
    • 4-(3-nitrophenyl)pyridine-2-carbaldehyde
    • 52583-68-3
    • DTXSID70788984
    • Inchi： 1S/C12H8N2O3/c15-8-11-6-10(4-5-13-11)9-2-1-3-12(7-9)14(16)17/h1-8H
    • InChI Key： XVVCSDJOANJABB-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=CC=CC(=C1)C1C=CN=C(C=O)C=1)=O

Computed Properties

  • Exact Mass: 228.05354
  • Monoisotopic Mass: 228.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 290
  • 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: 2.1
  • Topological Polar Surface Area: 75.8?2

Experimental Properties

  • PSA: 73.1

2-Pyridinecarboxaldehyde, 4-(3-nitrophenyl)- Related Literature

52583-68-3 (2-Pyridinecarboxaldehyde, 4-(3-nitrophenyl)-) Related Products

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