Cas no 1159982-19-0 (3-Iodo-1H-pyrrolo[2,3-B]pyridine-4-carbaldehyde)

3-Iodo-1H-pyrrolo[2,3-B]pyridine-4-carbaldehyde structure
1159982-19-0 structure
Product Name:3-Iodo-1H-pyrrolo[2,3-B]pyridine-4-carbaldehyde
CAS No:1159982-19-0
MF:C8H5IN2O
MW:272.042573690414
CID:2613945
Update Time:2023-08-06

3-Iodo-1H-pyrrolo[2,3-B]pyridine-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
    • 3-IODO-7-AZAINDOLE-4-CARBALDEHYDE
    • 3-Iodo-1H-pyrrolo[2,3-B]pyridine-4-carbaldehyde
    • Inchi: 1S/C8H5IN2O/c9-6-3-11-8-7(6)5(4-12)1-2-10-8/h1-4H,(H,10,11)
    • InChI Key: RHEXEMPHLJQWRH-UHFFFAOYSA-N
    • SMILES: IC1=CNC2C1=C(C=O)C=CN=2

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
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