1455358-11-8

Name 1-(tert-butyl)-3-((5-chloro-3-(hydroxymethyl)pyridin-2-yl)methyl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one
CAS 1455358-11-8
Molecular Formula C18H20ClN3O2
Molecular Weight 345.82
MOL File 1455358-11-8.mol

Chemical Properties

Boiling point  547.6±50.0 °C(Predicted)
density  1.315±0.06 g/cm3(Predicted)
pka 13.26±0.10(Predicted)
InChI InChI=1S/C18H20ClN3O2/c1-18(2,3)22-16-13(5-4-6-20-16)14(17(22)24)8-15-11(10-23)7-12(19)9-21-15/h4-7,9,14,23H,8,10H2,1-3H3
InChIKey ZPDUZCIPSKYVDS-UHFFFAOYSA-N
SMILES C12N(C(C)(C)C)C(=O)C(CC3=NC=C(Cl)C=C3CO)C1=CC=CN=2

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