Cas no 2600398-86-3 (5-(cyclopropyl-d5)pyridin-3,4,6-d3-2-ol)

5-(cyclopropyl-d5)pyridin-3,4,6-d3-2-ol structure
2600398-86-3 structure
Product Name:5-(cyclopropyl-d5)pyridin-3,4,6-d3-2-ol
CAS No:2600398-86-3
MF:C8H9NO
MW:143.212455511093
CID:6825574
PubChem ID:172401891
Update Time:2025-02-26

5-(cyclopropyl-d5)pyridin-3,4,6-d3-2-ol Chemical and Physical Properties

Names and Identifiers

    • 2600398-86-3
    • CS-23703
    • 5-(cyclopropyl-d5)pyridin-3,4,6-d3-2-ol
    • Inchi: 1S/C8H9NO/c10-8-4-3-7(5-9-8)6-1-2-6/h3-6H,1-2H2,(H,9,10)/i1D2,2D2,3D,4D,5D,6D
    • InChI Key: FWUCDCOUFJDYLH-YHPVEMKJSA-N
    • SMILES: OC1=C([2H])C([2H])=C(C([2H])=N1)C1([2H])C([2H])([2H])C1([2H])[2H]

Computed Properties

  • Exact Mass: 143.118627878Da
  • Monoisotopic Mass: 143.118627878Da
  • Isotope Atom Count: 8
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 122
  • 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: 1.7
  • Topological Polar Surface Area: 33.1?2
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