Cas no 1044038-50-7 (3-Ethynyl-2-nitropyridine)

3-Ethynyl-2-nitropyridine structure
3-Ethynyl-2-nitropyridine structure
Product Name:3-Ethynyl-2-nitropyridine
CAS No:1044038-50-7
MF:C7H4N2O2
MW:148.118861198425
CID:2853168
Update Time:2023-08-10

3-Ethynyl-2-nitropyridine Chemical and Physical Properties

Names and Identifiers

    • 3-ethynyl-2-nitropyridine
    • ethynylnitropyridine
    • Pyridine, 3-ethynyl-2-nitro-
    • 3-Ethynyl-2-nitropyridine
    • Inchi: 1S/C7H4N2O2/c1-2-6-4-3-5-8-7(6)9(10)11/h1,3-5H
    • InChI Key: LWLQYWCSTRRVFE-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(C#C)=CC=CN=1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 200
  • XLogP3: 1.3
  • Topological Polar Surface Area: 58.7
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