
 CHEMBL3603923

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.6772    0.3298    1.0155 C   0  0  0  0  0
   -0.8742    1.4100    0.6463 C   0  0  0  0  0
    0.4031    1.1782    0.1219 C   0  0  0  0  0
    0.8828   -0.0897   -0.0388 N   0  0  0  0  0
    0.0802   -1.1192    0.3292 C   0  0  0  0  0
   -1.1870   -0.9534    0.8527 C   0  0  0  0  0
   -1.9292   -2.0122    1.1971 F   0  0  0  0  0
    1.3055    2.2818   -0.2874 C   0  0  0  0  0
    0.8387    3.5427   -0.1343 N   0  0  0  0  0
    1.6614    4.5334   -0.4977 C   0  0  0  0  0
    2.8945    4.3915   -0.9985 N   0  0  0  0  0
    3.3441    3.1290   -1.1567 C   0  0  0  0  0
    2.5706    2.0389   -0.8010 C   0  0  0  0  0
    4.7065    3.0035   -1.7187 C   0  0  0  0  0
    5.0964    1.8973   -2.4960 C   0  0  0  0  0
    6.3908    1.8001   -3.0130 C   0  0  0  0  0
    7.3295    2.7986   -2.7768 C   0  0  0  0  0
    6.9674    3.9114   -2.0181 C   0  0  0  0  0
    5.6690    4.0096   -1.4982 C   0  0  0  0  0
    7.9215    4.9509   -1.7686 C   0  0  0  0  0
    8.7004    5.7878   -1.5676 N   0  0  0  0  0
    6.8276    0.4282   -3.9558 Cl  0  0  0  0  0
   -2.6696    0.4866    1.4243 H   0  0  0  0  0
   -1.2460    2.4237    0.7688 H   0  0  0  0  0
    0.4935   -2.1127    0.1891 H   0  0  0  0  0
    1.2956    5.5472   -0.3745 H   0  0  0  0  0
    2.9357    1.0239   -0.9000 H   0  0  0  0  0
    4.3866    1.1041   -2.7222 H   0  0  0  0  0
    8.3343    2.7115   -3.1849 H   0  0  0  0  0
    5.3989    4.8854   -0.9058 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 27  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 17  2  0  0  0
 16 22  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 30  1  0  0  0
 20 21  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL3603923

>  <PubChem CID>
86763358

>  <Formula>
C16H8ClFN4

>  <Molecular Weight>
310.716000

>  <IUPAC Name>
3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=NC=C1F)C2=NC=NC(=C2)C3=CC(=CC(=C3)C#N)Cl

>  <Isomeric SMILES>
C1=CC(=NC=C1F)C2=NC=NC(=C2)C3=CC(=CC(=C3)C#N)Cl

>  <InChI Std. ID>
InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H

>  <InChI Key>
FQAXDSVNYVVQSE-UHFFFAOYSA-N

