6-(2,6-Dichlorophenyl)-2-[(4-Fluorophenyl)Amino]-8-Methylpyrido[2,3-D]Pyrimidin-7(8H)-One

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Properties Simple | Detailed

Formula C20H13Cl2FN4O
IUPAC Name 6-(2,6-dichlorophenyl)-2-(4-fluoroanilino)-8-methyl-pyrido[2,3-d]pyrimidin-7-one
Molecular Mass 415.248 g·mol−1
Heat of Formation -40.3 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 439.83 Å 3
Surface Area 378.42 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(2,6-dichlorophenyl)-2-[(4-fluorophenyl)amino]-8-methyl-7-pyrido[6,5-d]pyrimidinone
  • 6-(2,6-dichlorophenyl)-2-[(4-fluorophenyl)amino]-8-methyl-pyrido[6,5-d]pyrimidin-7-one
  • 6-(2,6-dichlorophenyl)-2-[(4-fluorophenyl)amino]-8-methylpyrido[6,5-d]pyrimidin-7-one
  • pd173956
InChIKey ZSHRAUSJZQDIJR-UHFFFAOYSA-N
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Elements C F H Cl O N