Cas no 1226849-26-8 (5-(3-(Aminomethyl)phenyl)pyridin-3-ylboronic acid)

5-(3-(Aminomethyl)phenyl)pyridin-3-ylboronic acid structure
1226849-26-8 structure
Product Name:5-(3-(Aminomethyl)phenyl)pyridin-3-ylboronic acid
CAS No:1226849-26-8
MF:C12H13BN2O2
MW:228.054822683334
CID:2107320
Update Time:2023-08-03

5-(3-(Aminomethyl)phenyl)pyridin-3-ylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(3-(aminomethyl)phenyl)pyridin-3-ylboronic acid
    • 5-(3-(Aminomethyl)phenyl)pyridin-3-ylboronic acid
    • Inchi: 1S/C12H13BN2O2/c14-6-9-2-1-3-10(4-9)11-5-12(13(16)17)8-15-7-11/h1-5,7-8,16-17H,6,14H2
    • InChI Key: YXYZLXHQTCXRCS-UHFFFAOYSA-N
    • SMILES: OB(C1=CN=CC(=C1)C1=CC=CC(CN)=C1)O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 241
  • Topological Polar Surface Area: 79.4
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