Cas no 1316228-22-4 (Tert-butyl 3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate)

Tert-butyl 3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate structure
1316228-22-4 structure
Product Name:Tert-butyl 3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CAS No:1316228-22-4
MF:C13H15IN2O2
MW:358.174875497818
CID:2110486
Update Time:2023-08-04

Tert-butyl 3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
    • SGJMPFRGWNFLON-UHFFFAOYSA-N
    • tert-butyl 3-iodo-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
    • tert-butyl 3-iodo-2-methyl-1H-pyrrolo[2,3-b]-pyridine-1-carboxylate
    • Tert-butyl 3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
    • Inchi: 1S/C13H15IN2O2/c1-8-10(14)9-6-5-7-15-11(9)16(8)12(17)18-13(2,3)4/h5-7H,1-4H3
    • InChI Key: SGJMPFRGWNFLON-UHFFFAOYSA-N
    • SMILES: IC1C2=CC=CN=C2N(C(=O)OC(C)(C)C)C=1C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 329
  • Topological Polar Surface Area: 44.1

Tert-butyl 3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Related Literature

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