Methyl 6-Butyl-1-(2-Fluoro-4-(O-1H-Tetrazol-5-Ylphenyl)Benzyl)-1,2-Dihydro-2-Oxoisonicotinate

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Properties Simple | Detailed

Formula C25H24FN5O3
IUPAC Name methyl 2-butyl-1-[[2-fluoro-4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxo-pyridine-4-carboxylate
Molecular Mass 461.488 g·mol−1
Heat of Formation -202.3 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 545.28 Å 3
Surface Area 434.34 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butyl-1-[2-fluoro-4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]-6-keto-isonicotinic acid methyl ester
  • 2-butyl-1-[[2-fluoro-4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxo-4-pyridinecarboxylic acid methyl ester
  • 4-pyridinecarboxylic acid, 6-butyl-1-((3-fluoro-2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1,2-dihydro-2-oxo-, methyl ester
  • 4-pyridinecarboxylic acid, 6-butyl-1-((3-fluoro-2'-(1h-tetrzol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1,2-dihydro-2-oxo-, methyl ester
  • 6-n-butyl-4-methoxycarbonyl-2-oxo-1-((2'-(1h-tetrazol-5-yl)-3-fluorobiphenyl-4-yl)methyl)-1,2-dihydropyridine
  • bay 10-6734
  • bay-10-6734
  • methyl 2-butyl-1-[[2-fluoro-4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxo-pyridine-4-carboxylate
  • methyl 2-butyl-1-[[2-fluoro-4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxo-pyridine-4-carboxylate
  • methyl 6-butyl-1-((3-fluoro-2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1,2-dihydro-2-oxo-4-pyridinecarboxylate
  • methyl 6-butyl-1-((3-fluoro-2'-(1h-tetrzol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1,2-dihydro-2-oxo-4-pyridinecarboxylate
CAS Number(s)
  • 156001-18-2
InChIKey LYVGOAYMIAQLHI-UHFFFAOYSA-N
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