6-(Pyridin-4-Yl)-5-(Trifluoromethyl)-4H-Imidazo[4,5-B]Pyridin-2-Ol

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Properties Simple | Detailed

Formula C12H7F3N4O
IUPAC Name 6-(4-pyridyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine-1,3-diium-2-one
Molecular Mass 280.205 g·mol−1
Heat of Formation -495.6 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 283.67 Å 3
Surface Area 258.36 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-dihydro-2-oxo-6-(4-pyridinyl)-5-(trifluoromethyl)imidazo(4,5-b)pyridine
  • 2h-imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-6-(4-pyridinyl)-5-(trifluoromethyl)-
  • 6-(4-pyridyl)-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
  • win 62582
  • win-62582
CAS Number(s)
  • 132225-86-6
InChIKey JSUZBWHUZJJRII-UHFFFAOYSA-N
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Elements H C N O F