
 CHEMBL1096196

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.9222    0.0535   -0.0420 C   0  0  0  0  0
    2.4176   -0.0545   -0.0533 C   0  0  0  0  0
    3.1182    1.1031   -0.1219 N   0  0  0  0  0
    4.4612    1.0473   -0.1040 C   0  0  0  0  0
    5.1637   -0.1687   -0.0148 C   0  0  0  0  0
    4.4200   -1.3517    0.0624 C   0  0  0  0  0
    3.0308   -1.2957    0.0492 C   0  0  0  0  0
    6.5665   -0.1722    0.0001 C   0  0  0  0  0
    7.2745    1.0290   -0.0673 C   0  0  0  0  0
    6.5987    2.2538   -0.1514 C   0  0  0  0  0
    5.1915    2.2277   -0.1709 C   0  0  0  0  0
    7.3327    3.5268   -0.2083 C   0  0  0  0  0
    8.3825    3.7359   -1.1043 C   0  0  0  0  0
    9.1017    4.8800   -1.1975 N   0  0  0  0  0
    8.7610    5.8843   -0.3588 C   0  0  0  0  0
    7.7372    5.7996    0.5703 C   0  0  0  0  0
    7.0180    4.5996    0.6399 C   0  0  0  0  0
    7.4091    6.8803    1.4426 C   0  0  0  0  0
    7.1185    7.7398    2.1668 N   0  0  0  0  0
    9.7379    7.2858   -0.5616 Cl  0  0  0  0  0
    0.4730   -0.7197   -0.6733 H   0  0  0  0  0
    0.6023    1.0274   -0.4263 H   0  0  0  0  0
    0.5485   -0.0565    0.9806 H   0  0  0  0  0
    4.9143   -2.3167    0.1373 H   0  0  0  0  0
    2.4432   -2.2054    0.1164 H   0  0  0  0  0
    7.1157   -1.1085    0.0713 H   0  0  0  0  0
    8.3623    0.9949   -0.0353 H   0  0  0  0  0
    4.6298    3.1573   -0.2496 H   0  0  0  0  0
    8.6832    2.9627   -1.8090 H   0  0  0  0  0
    6.2146    4.4964    1.3695 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 28  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 30  1  0  0  0
 18 19  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL1096196

>  <PubChem CID>
46888088

>  <Formula>
C16H10ClN3

>  <Molecular Weight>
279.727000

>  <IUPAC Name>
2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C=CC(=C2)C3=CN=C(C(=C3)C#N)Cl

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C=CC(=C2)C3=CN=C(C(=C3)C#N)Cl

>  <InChI Std. ID>
InChI=1S/C16H10ClN3/c1-10-2-3-11-4-5-12(7-15(11)20-10)14-6-13(8-18)16(17)19-9-14/h2-7,9H,1H3

>  <InChI Key>
FCXAJLFDBPZDJD-UHFFFAOYSA-N

