Cas no 1447226-65-4 (6-chloro-4-(isopropylamino)pyridine-3-carbonitrile)

6-chloro-4-(isopropylamino)pyridine-3-carbonitrile structure
1447226-65-4 structure
Product Name:6-chloro-4-(isopropylamino)pyridine-3-carbonitrile
CAS No:1447226-65-4
MF:C9H10ClN3
MW:195.648800373077
CID:2115352
Update Time:2023-11-19

6-chloro-4-(isopropylamino)pyridine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-chloro-4-(isopropylamino)pyridine-3-carbonitrile
    • 3-Pyridinecarbonitrile, 6-chloro-4-[(1-methylethyl)amino]
    • GJDNQPIAPBAOMR-UHFFFAOYSA-N
    • 6-chloro-4-(isopropylamino)nicotinonitrile
    • CID 89689825
    • 3-Pyridinecarbonitrile, 6-chloro-4-[(1-methylethyl)amino]-
    • Inchi: 1S/C9H10ClN3/c1-6(2)13-8-3-9(10)12-5-7(8)4-11/h3,5-6H,1-2H3,(H,12,13)
    • InChI Key: GJDNQPIAPBAOMR-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=C(C#N)C=N1)NC(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 208
  • Topological Polar Surface Area: 48.7

Experimental Properties

  • Density: 1.21±0.1 g/cm3(Predicted)
  • Boiling Point: 345.9±42.0 °C(Predicted)
  • pka: -0.09±0.33(Predicted)
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