Cas no 1079399-87-3 (4-chloro-7-(prop-2-yn-1-yl)-7H-pyrrolo2,3-dpyrimidine)

4-chloro-7-(prop-2-yn-1-yl)-7H-pyrrolo2,3-dpyrimidine structure
1079399-87-3 structure
Product Name:4-chloro-7-(prop-2-yn-1-yl)-7H-pyrrolo2,3-dpyrimidine
CAS No:1079399-87-3
MF:C9H6ClN3
MW:191.617040157318
MDL:MFCD21336787
CID:1098246
PubChem ID:25141370
Update Time:2025-04-20

4-chloro-7-(prop-2-yn-1-yl)-7H-pyrrolo2,3-dpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-7-(2-propyn-1-yl)-7H-Pyrrolo[2,3-d]pyrimidine
    • 4-chloro-7-(prop-2-yn-1-yl)-7H-pyrrolo2,3-dpyrimidine
    • CHEMBL455561
    • 4-chloro-7-(prop-2-yn-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
    • 1079399-87-3
    • EN300-8196607
    • MDL: MFCD21336787
    • Inchi: 1S/C9H6ClN3/c1-2-4-13-5-3-7-8(10)11-6-12-9(7)13/h1,3,5-6H,4H2
    • InChI Key: LVYSXDGSKIVICS-UHFFFAOYSA-N
    • SMILES: ClC1=C2C=CN(CC#C)C2=NC=N1

Computed Properties

  • Exact Mass: 191.0250249g/mol
  • Monoisotopic Mass: 191.0250249g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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: 1.8
  • Topological Polar Surface Area: 30.7?2

4-chloro-7-(prop-2-yn-1-yl)-7H-pyrrolo2,3-dpyrimidine Pricemore >>

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