4,6-Diamino-2-Bromonicotinonitrile

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Properties Simple | Detailed

Formula C6H5BrN4
IUPAC Name 4,6-diamino-2-bromo-pyridine-3-carbonitrile
Molecular Mass 213.035 g·mol−1
Heat of Formation 227.9 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 187.9 Å 3
Surface Area 187.64 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4-diamino-5-cyano-6-bromopyridine
  • 4,6-diamino-2-bromo-3-pyridinecarbonitrile
  • 4,6-diamino-2-bromo-nicotinonitrile
  • 4,6-diamino-2-bromopyridine-3-carbonitrile
CAS Number(s)
  • 42530-03-0
InChIKey NKXPRYBNUGINBZ-UHFFFAOYSA-N
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Elements H C Br N