Methyl [3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-2-Methyl-7-Oxo-5,7-Dihydro-6H-Pyrrolo[3,4-B]Pyridin-6-Yl]Acetate

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Formula C18H17Cl2N3O3
IUPAC Name methyl 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5h-pyrrolo[3,4-b]pyridin-6-yl]acetate
Molecular Mass 394.252 g·mol−1
Heat of Formation -348.1 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 430.27 Å 3
Surface Area 367.51 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5h-pyrrolo[3,4-b]pyridin-6-yl]acetic acid methyl ester
  • 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-7-keto-2-methyl-5h-pyrrolo[3,4-b]pyridin-6-yl]acetic acid methyl ester
  • methyl 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5h-pyrrolo[3,4-b]pyridin-6-yl]acetate
  • methyl 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5h-pyrrolo[3,4-b]pyridin-6-yl]ethanoate
InChIKey ZPJLWUGRTVIDEI-UHFFFAOYSA-N
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