5-(Methoxycarbonyl)-2,6-Dimethyl-4-(2-Nitrophenyl)Nicotinic Acid

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Properties Simple | Detailed

Formula C16H14N2O6
IUPAC Name 5-methoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid
Molecular Mass 330.292 g·mol−1
Heat of Formation -584.0 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 359.17 Å 3
Surface Area 297.18 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-nitrophenyl)-, monomethyl ester
  • 5-carbomethoxy-2,6-dimethyl-4-(2-nitrophenyl)nicotinic acid
  • 5-methoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridinecarboxylic acid
  • bay-o-2820
  • monomethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
  • mp2689
CAS Number(s)
  • 73372-63-1
InChIKey LCCVJQVUSQPANR-UHFFFAOYSA-N
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