Cas no 13058-75-8 (3-nitro-1,5-Naphthyridine)

3-nitro-1,5-Naphthyridine structure
3-nitro-1,5-Naphthyridine structure
Product Name:3-nitro-1,5-Naphthyridine
CAS No:13058-75-8
MF:C8H5N3O2
MW:175.144201040268
CID:1104374
PubChem ID:13122790
Update Time:2025-04-20

3-nitro-1,5-Naphthyridine Chemical and Physical Properties

Names and Identifiers

    • 3-nitro-1,5-Naphthyridine
    • 1,5-Naphthyridine, 3-nitro-
    • DTXSID10519638
    • 13058-75-8
    • SCHEMBL4515288
    • Inchi: 1S/C8H5N3O2/c12-11(13)6-4-8-7(10-5-6)2-1-3-9-8/h1-5H
    • InChI Key: CVLOAVGLAYWJHC-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CN=C2C=CC=NC2=C1)=O

Computed Properties

  • Exact Mass: 349.08523
  • Monoisotopic Mass: 175.038176411g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 204
  • 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
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • PSA: 68.92
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