3'-(Trifluoromethyl)-N-{4-[(Trifluoromethyl)Sulfonyl]Phenyl}-3,6-Dihydro-2H-1,2'-Bipyridine-4-Carboxamide

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Formula C19H15F6N3O3S
IUPAC Name (1s)-1-[3-(trifluoromethyl)-2-pyridyl]-n-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2h-pyridine-4-carboxamide
Molecular Mass 479.396 g·mol−1
Heat of Formation -1468.2 ± 16.7 kJ·mol−1
Dipole Moment 12.08 ± 1.08 D
Volume 476.81 Å 3
Surface Area 413.79 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(trifluoromethyl)-2-pyridyl]-n-(4-triflylphenyl)-3,6-dihydro-2h-pyridine-4-carboxamide
  • 1-[3-(trifluoromethyl)-2-pyridyl]-n-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2h-pyridine-4-carboxamide
  • 1-[3-(trifluoromethyl)pyridin-2-yl]-n-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2h-pyridine-4-carboxamide
InChIKey SDUAWRFBHRAFBM-UHFFFAOYSA-N
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