
 87394-60-3

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.4155    1.3698   -0.1354 C   0  0  0  0  0
   -0.9487    1.0954    0.5409 C   0  0  0  0  0
   -1.5554   -0.1921    0.1355 N   0  0  0  0  0
   -0.5959   -1.3185    0.1601 C   0  0  0  0  0
    0.7395   -0.9664   -0.5365 C   0  0  0  0  0
    1.3753    0.2536   -0.0008 N   0  0  0  0  0
   -2.3237   -0.1393   -1.0408 C   0  0  0  0  0
   -3.3619   -1.0660   -1.2832 C   0  0  0  0  0
   -4.1013   -0.9929   -2.4664 C   0  0  0  0  0
   -3.8060    0.0024   -3.3830 C   0  0  0  0  0
   -2.7922    0.8924   -3.0791 C   0  0  0  0  0
   -2.0616    0.8436   -1.9382 N   0  0  0  0  0
   -4.6858    0.1332   -4.8495 Cl  0  0  0  0  0
   -3.8253   -2.2761   -0.1337 Cl  0  0  0  0  0
    0.2863    1.6001   -1.1983 H   0  0  0  0  0
    0.8607    2.2623    0.3182 H   0  0  0  0  0
   -1.6367    1.9350    0.3764 H   0  0  0  0  0
   -0.7910    1.0508    1.6269 H   0  0  0  0  0
   -0.3941   -1.5618    1.2110 H   0  0  0  0  0
   -1.0021   -2.2294   -0.2925 H   0  0  0  0  0
    1.4370   -1.8026   -0.4114 H   0  0  0  0  0
    0.5830   -0.8488   -1.6161 H   0  0  0  0  0
    1.5516    0.1089    0.9934 H   0  0  0  0  0
   -4.9040   -1.6982   -2.6589 H   0  0  0  0  0
   -2.5244    1.6970   -3.7583 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 25  1  0  0  0
M  END

>  <Chemical Name>
87394-60-3

>  <PubChem CID>
2771431

>  <Formula>
C9H11Cl2N3

>  <Molecular Weight>
232.108000

>  <IUPAC Name>
1-(3,5-dichloropyridin-2-yl)piperazine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1)C2=C(C=C(C=N2)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCN1)C2=C(C=C(C=N2)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C9H11Cl2N3/c10-7-5-8(11)9(13-6-7)14-3-1-12-2-4-14/h5-6,12H,1-4H2

>  <InChI Key>
BOJIHPXIMSXHDU-UHFFFAOYSA-N

