Cas no 1373337-82-6 (tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate)

tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate structure
1373337-82-6 structure
Product Name:tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CAS No:1373337-82-6
MF:C12H13ClN2O2
MW:252.696821928024
CID:6936574
PubChem ID:125511099
Update Time:2025-05-08

tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1373337-82-6
    • DB-126169
    • tert-butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
    • tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
    • Inchi: 1S/C12H13ClN2O2/c1-12(2,3)17-11(16)15-7-6-8-4-5-9(13)14-10(8)15/h4-7H,1-3H3
    • InChI Key: MMHXETBPWSKMOO-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C2C=CN(C(=O)OC(C)(C)C)C2=N1

Computed Properties

  • Exact Mass: 252.0665554Da
  • Monoisotopic Mass: 252.0665554Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 303
  • 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: 3.5
  • Topological Polar Surface Area: 44.1?2

tert-Butyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Related Literature

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