Cas no 947534-30-7 (5-bromo-N-(3-nitrocyclobutyl)pyridin-2-amine)

5-bromo-N-(3-nitrocyclobutyl)pyridin-2-amine structure
947534-30-7 structure
Product Name:5-bromo-N-(3-nitrocyclobutyl)pyridin-2-amine
CAS No:947534-30-7
MF:C9H10BrN3O2
MW:272.09860086441
CID:870202
PubChem ID:45158683
Update Time:2025-04-19

5-bromo-N-(3-nitrocyclobutyl)pyridin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-N-(3-nitrocyclobutyl)pyridin-2-amine
    • 5-BROMO-3-NITRO-(PYRIDIN-2-YL))-CYCLOBUTYL-AMINE
    • 5-Bromo-3-nitro-pyridin-2-yl)-cyclobutyl-amine
    • AKOS011704900
    • 947534-30-7
    • Inchi: 1S/C9H10BrN3O2/c10-6-4-8(13(14)15)9(11-5-6)12-7-2-1-3-7/h4-5,7H,1-3H2,(H,11,12)
    • InChI Key: BTRLHRIMRXFTDW-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(C(=C1)[N+](=O)[O-])NC1CCC1

Computed Properties

  • Exact Mass: 270.99600
  • Monoisotopic Mass: 270.99564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 3.2
  • Topological Polar Surface Area: 70.7?2

Experimental Properties

  • PSA: 70.74000
  • LogP: 3.31290
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