5-(1H-Pyrrolo[2,3-B]Pyridin-3-Ylmethyl)-N-[4-(Trifluoromethyl)Benzyl]-2-Pyridinamine

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Properties Simple | Detailed

Formula C21H17F3N4
IUPAC Name 5-(pyrrolo[2,3-b]pyridin-3-ylmethyl)-n-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
Molecular Mass 382.382 g·mol−1
Heat of Formation -240.3 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 432.81 Å 3
Surface Area 388.66 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(1h-pyrrolo[5,4-b]pyridin-3-ylmethyl)-n-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinamine
  • [5-(1h-pyrrolo[5,4-b]pyridin-3-ylmethyl)-2-pyridyl]-[4-(trifluoromethyl)benzyl]amine
InChIKey NODCQQSEMCESEC-UHFFFAOYSA-N
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Elements H C F N