Cas no 1198016-59-9 (3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)-)

3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)- structure
1198016-59-9 structure
Product Name:3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)-
CAS No:1198016-59-9
MF:C8H8ClNO2
MW:185.607621192932
CID:2114992
Update Time:2023-08-04

3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)- Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-6-(1-hydroxyethyl)nicotinaldehyde
    • 3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)-
    • Inchi: 1S/C8H8ClNO2/c1-5(12)8-7(9)2-6(4-11)3-10-8/h2-5,12H,1H3
    • InChI Key: ZOWDALAXIOBTGG-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C=O)=CN=C1C(C)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 165
  • Topological Polar Surface Area: 50.2
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