(2E)-3-{3-[(5-Ethyl-3-Iodo-6-Methyl-2-Oxo-1,2-Dihydro-4-Pyridinyl)Oxy]Phenyl}Acrylonitrile

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Properties Simple | Detailed

Formula C17H15IN2O2+
IUPAC Name (e)-3-[3-[(3-ethyl-5-iodo-2-methyl-6-oxo-4-pyridyl)oxy]phenyl]prop-2-enenitrile
Molecular Mass 406.218 g·mol−1
Heat of Formation 45.6 ± 16.7 kJ·mol−1
Dipole Moment 7.68 ± 1.08 D
Volume 384.26 Å 3
Surface Area 338.19 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}acrylonitrile
  • (e)-3-[3-[(5-ethyl-3-iodo-2-keto-6-methyl-1h-pyridin-4-yl)oxy]phenyl]acrylonitrile
  • 2-propenenitrile, 3-[3-[(5-ethyl-1,2-dihydro-3-iodo-6-methyl-2-oxo-4-pyridinyl)oxy]phenyl]-, (2e)-
  • r165481
InChIKey XMFUXIRAVPMVRS-FNORWQNLSA-N
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