4-{[(4-Azido-2-Nitrophenyl)Amino]Methyl}-5-(Hydroxymethyl)-2-Methyl-3-Pyridinol

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Properties Simple | Detailed

Formula C14H15N6O4
IUPAC Name 4-[(4-azido-2-nitro-anilino)methyl]-5-(hydroxymethyl)-2-methyl-pyridin-3-ol
Molecular Mass 331.307 g·mol−1
Heat of Formation 125.7 ± 16.7 kJ·mol−1
Dipole Moment 7.80 ± 1.08 D
Volume 363.0 Å 3
Surface Area 328.09 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinemethanol, 4-(((4-azido-2-nitrophenyl)amino)methyl)-5-hydroxy-6-methyl-, cis-(+-)-
  • 4-[[(4-azido-2-nitro-phenyl)amino]methyl]-2-methyl-5-methylol-pyridin-3-ol
  • 4-[[(4-azido-2-nitro-phenyl)amino]methyl]-5-(hydroxymethyl)-2-methyl-pyridin-3-ol
  • 4-[[(4-azido-2-nitrophenyl)amino]methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinol
  • 4-[[(4-azido-2-nitrophenyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
  • n-4-azido-2-nitrophenylpyridoxyl-5-phosphate
  • nanp
CAS Number(s)
  • 95973-32-3
InChIKey KQPKMEYBZUPZGK-UHFFFAOYSA-N
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