
 CHEMBL61488

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.0388    0.0685    0.2596 C   0  0  0  0  0
    2.5307    0.1621    0.1470 C   0  0  0  0  0
    3.1490    1.4103    0.0869 C   0  0  0  0  0
    4.5396    1.5111   -0.0160 C   0  0  0  0  0
    5.2426    0.3018   -0.0401 C   0  0  0  0  0
    4.5640   -0.9153    0.0156 C   0  0  0  0  0
    3.2202   -0.9964    0.1085 N   0  0  0  0  0
    5.3173   -2.1792   -0.0378 C   0  0  0  0  0
    4.7426   -3.3942    0.0084 C   0  0  0  0  0
    5.4712   -4.6688   -0.0603 C   0  0  0  0  0
    6.7525   -4.8360    0.4830 C   0  0  0  0  0
    7.4099   -6.0774    0.4241 C   0  0  0  0  0
    6.7578   -7.1645   -0.1758 C   0  0  0  0  0
    5.4765   -7.0143   -0.7026 C   0  0  0  0  0
    4.8370   -5.7748   -0.6404 C   0  0  0  0  0
    8.7925   -6.2536    0.9995 C   0  0  0  0  0
    8.8293   -7.1799    1.9974 F   0  0  0  0  0
    9.6943   -6.6734    0.0683 F   0  0  0  0  0
    9.3143   -5.1126    1.5315 F   0  0  0  0  0
    5.1775    2.7286   -0.0822 N   0  0  0  0  0
    4.4931    3.9963   -0.3351 C   0  0  0  0  0
    5.6133    4.9424   -0.7617 C   0  0  0  0  0
    6.8178    4.4125   -0.0047 C   0  0  0  0  0
    6.6289    2.8996   -0.0827 C   0  0  0  0  0
    0.7156   -0.9770    0.2971 H   0  0  0  0  0
    0.5640    0.5410   -0.6056 H   0  0  0  0  0
    0.6967    0.5636    1.1738 H   0  0  0  0  0
    2.5295    2.2990    0.1340 H   0  0  0  0  0
    6.3234    0.2971   -0.1181 H   0  0  0  0  0
    6.3929   -2.0802   -0.1372 H   0  0  0  0  0
    3.6587   -3.4744    0.0789 H   0  0  0  0  0
    7.2480   -3.9985    0.9711 H   0  0  0  0  0
    7.2477   -8.1359   -0.2288 H   0  0  0  0  0
    4.9720   -7.8614   -1.1611 H   0  0  0  0  0
    3.8362   -5.6773   -1.0574 H   0  0  0  0  0
    4.0149    4.3532    0.5842 H   0  0  0  0  0
    3.7422    3.9223   -1.1295 H   0  0  0  0  0
    5.7849    4.8573   -1.8416 H   0  0  0  0  0
    5.3893    5.9874   -0.5320 H   0  0  0  0  0
    7.7692    4.7381   -0.4341 H   0  0  0  0  0
    6.7792    4.7447    1.0399 H   0  0  0  0  0
    7.0569    2.5102   -1.0136 H   0  0  0  0  0
    7.1082    2.4097    0.7717 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
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 20 24  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
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 21 37  1  0  0  0
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 24 42  1  0  0  0
 24 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL61488

>  <PubChem CID>
9840567

>  <Formula>
C19H19F3N2

>  <Molecular Weight>
332.370000

>  <IUPAC Name>
2-methyl-4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=CC(=N1)C=CC2=CC(=CC=C2)C(F)(F)F)N3CCCC3

>  <Isomeric SMILES>
CC1=CC(=CC(=N1)/C=C/C2=CC(=CC=C2)C(F)(F)F)N3CCCC3

>  <InChI Std. ID>
InChI=1S/C19H19F3N2/c1-14-11-18(24-9-2-3-10-24)13-17(23-14)8-7-15-5-4-6-16(12-15)19(20,21)22/h4-8,11-13H,2-3,9-10H2,1H3/b8-7+

>  <InChI Key>
SVBPIHGFWPZCHM-BQYQJAHWSA-N

