5-(4-Cyanophenyl)-6-Methyl-2-Oxo-1,2-Dihydro-3-Pyridinecarbonitrile

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Properties Simple | Detailed

Formula C14H9N3O
IUPAC Name 5-(4-cyanophenyl)-6-methyl-2-oxo-1h-pyridine-3-carbonitrile
Molecular Mass 235.241 g·mol−1
Heat of Formation 227.5 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 282.85 Å 3
Surface Area 265.79 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-pyridinecarbonitrile, 5-(4-cyanophenyl)-1,2-dihydro-6-methyl-2-oxo-
  • 5-(4-cyanophenyl)-1,2-dihydro-6-methyl-2-oxopyridin-3-carbonitrile
  • 5-(4-cyanophenyl)-2-keto-6-methyl-1h-pyridine-3-carbonitrile
  • dpn 205-734
  • dpn-205-734
CAS Number(s)
  • 88594-78-9
InChIKey NMIRAZSAZYNODX-UHFFFAOYSA-N
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