Cas no 1400287-58-2 (6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde)

6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde structure
1400287-58-2 structure
Product Name:6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
CAS No:1400287-58-2
MF:C8H5BrN2O
MW:225.042100667953
CID:2108094
Update Time:2023-11-19

6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
    • 1H-Pyrrolo[3,2-c]pyridine-2-carboxaldehyde, 6-bromo-
    • RVTHQQXOTHUOBS-UHFFFAOYSA-N
    • CID 86706321
    • Inchi: 1S/C8H5BrN2O/c9-8-2-7-5(3-10-8)1-6(4-12)11-7/h1-4,11H
    • InChI Key: RVTHQQXOTHUOBS-UHFFFAOYSA-N
    • SMILES: BrC1=CC2=C(C=N1)C=C(C=O)N2

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • Density: 1.830±0.06 g/cm3(Predicted)
  • Boiling Point: 442.2±40.0 °C(Predicted)
  • pka: 12.32±0.40(Predicted)

6-bromo-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde Related Literature

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