1-(4-Fluorophenyl)-N-[3-Fluoro-4-(1H-Pyrrolo[2,3-B]Pyridin-4-Yloxy)Phenyl]-2-Oxo-1,2-Dihydro-3-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C25H16F2N4O3+
IUPAC Name 1-(4-fluorophenyl)-n-(3-fluoro-4-pyrrolo[2,3-b]pyridin-1-ium-4-yloxy-phenyl)-2-oxo-pyridin-1-ium-3-ide-3-carboxamide
Molecular Mass 458.416 g·mol−1
Heat of Formation -336.8 ± 16.7 kJ·mol−1
Dipole Moment 7.90 ± 1.08 D
Volume 491.54 Å 3
Surface Area 438.18 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-keto-nicotinamide
  • 1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-3-pyridinecarboxamide
  • 1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-pyridine-3-carboxamide
InChIKey OBSFXHDOLBYWRJ-UHFFFAOYSA-N
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