2-[(5-Fluoro-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)-5-pyrimidinyl]-...
C16H11F4N5O2
2417395-15-2 Copyright (C) 2025 ACS
 27 29  0  0  0  0  0  0  0  0999 V2000
    2.6675    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9008    6.7238    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0046    6.1601    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4408    4.0564    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7002    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3348    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    5.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    6.9302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
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 14 15  1  0  0  0  0
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 16 18  2  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
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M  END
> <cas.rn>
2417395-15-2

> <cas.index.name>
3(2H)-Pyridazinone, 2-[(5-fluoro-3-pyridinyl)methyl]-6-[2-(2,2,2-trifluoroethoxy)-5-pyrimidinyl]-

> <molecular.formula>
C16H11F4N5O2

> <molecular.weight>
381.29

> <boiling.point.predicted>
498.080±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.496±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.320±0.20    Most Basic Temp: 25 °C

$$$$
