2-Bromo-N-{[3-Hydroxy-5-(Hydroxymethyl)-2-Methyl-4-Pyridinyl]Methyl}Acetamide

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Properties Simple | Detailed

Formula C10H13BrN2O3
IUPAC Name 2-bromo-n-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl]acetamide
Molecular Mass 289.126 g·mol−1
Heat of Formation -478.4 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 285.11 Å 3
Surface Area 249.12 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-n-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]acetamide
  • 2-bromo-n-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl]acetamide
  • 2-bromo-n-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-4-yl]methyl]ethanamide
  • 2-bromo-n-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]acetamide
  • acetamide, 2-bromo-n-((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)methyl)-
  • bromoacetylpyridoxamine
CAS Number(s)
  • 54522-09-7
InChIKey FETUNBGKVMTDPH-UHFFFAOYSA-N
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Elements H C O Br N