7-[(3S)-3-Amino-1-Pyrrolidinyl]-1-(2,4-Difluorophenyl)-6-Fluoro-4-Oxo-1,4-Dihydro-1,8-Naphthyridine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H15F3N4O3
IUPAC Name 7-[(3s)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridin-1-ium-3-ide-3-carboxylic acid
Molecular Mass 404.343 g·mol−1
Heat of Formation -737.8 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 428.23 Å 3
Surface Area 368.03 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1,8-naphthyridine-3-carboxylic acid, 7-[(3s)-3-amino-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
  • 7-[(3s)-3-amino-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • 7-[(3s)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid
  • 7-[(3s)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChIKey WUWFMDMBOJLQIV-JTQLQIEISA-N
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