2-Fluoro-5-Hydroxy-3-(Hydroxymethyl)-6-Methylisonicotinaldehyde

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Properties Simple | Detailed

Formula C8H8FNO3
IUPAC Name 2-fluoro-5-hydroxy-3-(hydroxymethyl)-6-methyl-pyridine-4-carbaldehyde
Molecular Mass 185.152 g·mol−1
Heat of Formation -572.0 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 201.8 Å 3
Surface Area 195.08 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 2-fluoro-5-hydroxy-3-(hydroxymethyl)-6-methyl-4-pyridinecarboxaldehyde
  • 2-fluoro-5-hydroxy-3-(hydroxymethyl)-6-methylpyridine-4-carbaldehyde
  • 2-fluoro-5-hydroxy-6-methyl-3-methylol-isonicotinaldehyde
  • 4-pyridinecarboxaldehyde, 2-fluoro-5-hydroxy-3-(hydroxymethyl)-6-methyl-
  • 6-fluoropyridoxal
CAS Number(s)
  • 42242-42-2
InChIKey NTOKCJHDRACAJH-UHFFFAOYSA-N
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