Cas no 145934-59-4 (1H-Pyrrolo[2,3-b]pyridine,3-methoxy-2-methyl-)

1H-Pyrrolo[2,3-b]pyridine,3-methoxy-2-methyl- structure
145934-59-4 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine,3-methoxy-2-methyl-
CAS No:145934-59-4
MF:C9H10N2O
MW:162.188501834869
CID:105534
PubChem ID:19916818
Update Time:2025-04-18

1H-Pyrrolo[2,3-b]pyridine,3-methoxy-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine,3-methoxy-2-methyl-
    • 3-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine
    • 1H-Pyrrolo[2,3-b]pyridine,3-methoxy-2-methyl
    • 3-Methoxy-2-methylpyrrolo[2,3-b]pyridine
    • SCHEMBL8326093
    • 1H-PYRROLO[2,3-B]PYRIDINE, 3-METHOXY-2-METHYL-
    • AKOS006309691
    • FATQCTPNEKZZSD-UHFFFAOYSA-N
    • 145934-59-4
    • DTXSID60601299
    • Inchi: 1S/C9H10N2O/c1-6-8(12-2)7-4-3-5-10-9(7)11-6/h3-5H,1-2H3,(H,10,11)
    • InChI Key: FATQCTPNEKZZSD-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C)NC2C1=CC=CN=2

Computed Properties

  • Exact Mass: 162.07900
  • Monoisotopic Mass: 162.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 1.7
  • Topological Polar Surface Area: 37.9?2

Experimental Properties

  • Density: 1.198
  • Boiling Point: 316.2°C at 760 mmHg
  • Flash Point: 108.3°C
  • Refractive Index: 1.629
  • PSA: 37.91000
  • LogP: 1.87990
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