1,2-Dimethyl-6-Oxo-1,6-Dihydro-3,4'-Bipyridine-5-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C13H11N3O
IUPAC Name 1,6-dimethyl-2-oxo-5-(4-pyridyl)pyridine-3-carbonitrile
Molecular Mass 225.246 g·mol−1
Heat of Formation 137.0 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 271.63 Å 3
Surface Area 252.37 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry Cs
Synonyms
  • (3,4'-bipyridine)-5-carbonitrile, 1,6-dihydro-1,2-dimethyl-6-oxo-
  • 1,2-dimethyl-6-oxo-1,6-dihydro-3.4'-bipyridine-5-carbonitrile hydrobromide monohydrate
  • 1,2-dodbc
  • 1,6-dimethyl-2-oxo-5-(4-pyridyl)-3-pyridinecarbonitrile
  • 1,6-dimethyl-2-oxo-5-pyridin-4-yl-pyridine-3-carbonitrile
  • 1,6-dimethyl-2-oxo-5-pyridin-4-ylpyridine-3-carbonitrile
  • 2-keto-1,6-dimethyl-5-(4-pyridyl)nicotinonitrile
CAS Number(s)
  • 80047-23-0
InChIKey QFXODFMMECIZAR-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N