1H-Imidazo[4,5-B]Pyridine-2-Acetonitrile

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Properties Simple | Detailed

Formula C8H6N4
IUPAC Name 2-imidazo[4,5-b]pyridin-1-ium-2-ylacetonitrile
Molecular Mass 158.160 g·mol−1
Heat of Formation 393.3 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 185.5 Å 3
Surface Area 188.1 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1h-imidazo[4,5-b]pyridin-2-yl)acetonitrile
  • 2-(1h-imidazo[4,5-b]pyridin-2-yl)ethanenitrile
  • 2-cyanomethyl-impy
  • 2-cyanomethylimidazo(4,5-b)pyridine
  • zero/005285
CAS Number(s)
  • 107932-97-8
InChIKey NFQTXNZDURSTFY-UHFFFAOYSA-N
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Elements H C N