Cas no 791073-79-5 (3,6-Methano-1H-pyrrolo[3,2-b]pyridine(9CI))

3,6-Methano-1H-pyrrolo[3,2-b]pyridine(9CI) structure
791073-79-5 structure
Product Name:3,6-Methano-1H-pyrrolo[3,2-b]pyridine(9CI)
CAS No:791073-79-5
MF:C8H6N2
MW:130.146641254425
CID:555479
PubChem ID:45092505
Update Time:2025-04-19

3,6-Methano-1H-pyrrolo[3,2-b]pyridine(9CI) Chemical and Physical Properties

Names and Identifiers

    • 3,6-Methano-1H-pyrrolo[3,2-b]pyridine(9CI)
    • AG-H-17258
    • 3,6-METHANO-1H-PYRROLO[3,2-B]PYRIDINE
    • CTK2H6279
    • KB-179953
    • 1H-3,6-Methanopyrrolo[3,2-b]pyridine
    • DTXSID00666983
    • 791073-79-5
    • Inchi: 1S/C8H6N2/c1-5-2-7-8(10-3-5)6(1)4-9-7/h2-4,9H,1H2
    • InChI Key: BWEVGBYACZENCW-UHFFFAOYSA-N
    • SMILES: N1C=C2C3=C1C=C(C=N3)C2

Computed Properties

  • Exact Mass: 130.05300
  • Monoisotopic Mass: 130.053098200g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 157
  • 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: 1.1
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • PSA: 28.68000
  • LogP: 1.46710
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