
 CHEMBL17926

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.0127   -0.3482   -0.6667 C   0  0  0  0  0
    2.1963   -0.0034    0.1211 N   0  0  0  0  0
    2.7670    1.2917   -0.2859 C   0  0  0  0  0
    3.3772    1.3043   -1.7001 C   0  0  0  0  0
    4.1802    0.0616   -1.9730 C   0  0  0  0  0
    4.1056   -1.0108   -1.1642 C   0  0  0  0  0
    3.2181   -1.0598    0.0479 C   0  0  0  0  0
    5.0400    0.0506   -3.1631 C   0  0  0  0  0
    6.2814    0.6909   -3.2200 C   0  0  0  0  0
    7.0144    0.6139   -4.4042 C   0  0  0  0  0
    6.4996   -0.0957   -5.4854 C   0  0  0  0  0
    5.2652   -0.7058   -5.3410 C   0  0  0  0  0
    4.5277   -0.6490   -4.2110 N   0  0  0  0  0
    6.9600    1.5552   -1.8897 Cl  0  0  0  0  0
    0.2597    0.4443   -0.5921 H   0  0  0  0  0
    0.5454   -1.2564   -0.2695 H   0  0  0  0  0
    1.2289   -0.5162   -1.7270 H   0  0  0  0  0
    3.5451    1.5663    0.4398 H   0  0  0  0  0
    2.0079    2.0801   -0.2069 H   0  0  0  0  0
    3.9957    2.2034   -1.8004 H   0  0  0  0  0
    2.5777    1.3818   -2.4474 H   0  0  0  0  0
    4.6962   -1.8995   -1.3705 H   0  0  0  0  0
    2.7448   -2.0476    0.1115 H   0  0  0  0  0
    3.8594   -0.9828    0.9350 H   0  0  0  0  0
    7.9835    1.0985   -4.4873 H   0  0  0  0  0
    7.0499   -0.1739   -6.4168 H   0  0  0  0  0
    4.8223   -1.2750   -6.1537 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL17926

>  <PubChem CID>
44271903

>  <Formula>
C11H13ClN2

>  <Molecular Weight>
208.689000

>  <IUPAC Name>
3-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCC(=CC1)C2=C(C=CC=N2)Cl

>  <Isomeric SMILES>
CN1CCC(=CC1)C2=C(C=CC=N2)Cl

>  <InChI Std. ID>
InChI=1S/C11H13ClN2/c1-14-7-4-9(5-8-14)11-10(12)3-2-6-13-11/h2-4,6H,5,7-8H2,1H3

>  <InChI Key>
DYEVMJXVMZRRPM-UHFFFAOYSA-N

