2-Hydroxy-4-(Methoxymethyl)-6-Methyl-5-Nitronicotinonitrile

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Properties Simple | Detailed

Formula C9H9N3O4+
IUPAC Name 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-pyridine-3-carbonitrile
Molecular Mass 223.185 g·mol−1
Heat of Formation -177.1 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 244.62 Å 3
Surface Area 229.08 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-keto-4-(methoxymethyl)-6-methyl-5-nitro-1h-pyridine-3-carbonitrile
  • 2-methyl-3-nitro-4-methoxymethyl-5-cyano-6-oxypyridine
  • 3-cyano-4-methoxymethyl-5-nitro-6-methyl-(2-pyridone)
  • 3-pyridinecarbonitrile, 2-hydroxy-4-(methoxymethyl)-6-methyl-5-nitro-
  • 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1h-pyridine-3-carbonitrile
  • 4-methoxymethyl-6-methyl-5-nitro-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
  • bas 00883006
  • bb_sc-2640
  • nitropyridone
CAS Number(s)
  • 6281-75-0
  • 13530-95-5
InChIKey FDZPYSHPLURJEA-UHFFFAOYSA-N
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