Cas no 1823266-40-5 (Tert-butyl 5-cyano-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate)

Tert-butyl 5-cyano-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate structure
1823266-40-5 structure
Product Name:Tert-butyl 5-cyano-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate
CAS No:1823266-40-5
MF:C13H12IN3O2
MW:369.157754898071
CID:4708766
Update Time:2023-08-15

Tert-butyl 5-cyano-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 5-cyano-3-iodo-1H-pyrrolo-[2,3-b]pyridine-1-carboxylate
    • Tert-butyl 5-cyano-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate
    • Inchi: 1S/C13H12IN3O2/c1-13(2,3)19-12(18)17-7-10(14)9-4-8(5-15)6-16-11(9)17/h4,6-7H,1-3H3
    • InChI Key: LUZNEROPHYZYHJ-UHFFFAOYSA-N
    • SMILES: IC1=CN(C(=O)OC(C)(C)C)C2C1=CC(C#N)=CN=2

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 412
  • Topological Polar Surface Area: 67.9
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