
 87394-57-8

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2502   -0.0137    0.2907 C   0  0  0  0  0
    2.6360    0.0872   -0.1592 N   0  0  0  0  0
    3.1178   -1.1808   -0.7487 C   0  0  0  0  0
    2.5163   -1.5448   -2.1284 C   0  0  0  0  0
    2.6431   -0.4447   -3.1090 N   0  0  0  0  0
    2.2325    0.8682   -2.5666 C   0  0  0  0  0
    2.8096    1.1653   -1.1602 C   0  0  0  0  0
    3.8773   -0.4449   -3.7865 C   0  0  0  0  0
    4.1686   -1.4031   -4.7793 C   0  0  0  0  0
    5.4092   -1.3776   -5.4208 C   0  0  0  0  0
    6.3353   -0.4023   -5.0794 C   0  0  0  0  0
    5.9757    0.5181   -4.1145 C   0  0  0  0  0
    4.7823    0.5180   -3.4789 N   0  0  0  0  0
    3.0255   -2.5927   -5.3049 Cl  0  0  0  0  0
    0.9374    0.9224    0.7663 H   0  0  0  0  0
    1.1541   -0.7956    1.0521 H   0  0  0  0  0
    0.5436   -0.2362   -0.5147 H   0  0  0  0  0
    2.9401   -2.0055   -0.0472 H   0  0  0  0  0
    4.2093   -1.1114   -0.8475 H   0  0  0  0  0
    2.9826   -2.4728   -2.4773 H   0  0  0  0  0
    1.4496   -1.7715   -2.0136 H   0  0  0  0  0
    2.4820    1.6826   -3.2591 H   0  0  0  0  0
    1.1370    0.8671   -2.5048 H   0  0  0  0  0
    3.8838    1.3695   -1.2399 H   0  0  0  0  0
    2.3707    2.0966   -0.7809 H   0  0  0  0  0
    5.6473   -2.1054   -6.1911 H   0  0  0  0  0
    7.3053   -0.3539   -5.5609 H   0  0  0  0  0
    6.6566    1.3097   -3.8138 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  7  1  0  0  0
  2  3  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  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  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 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
M  END

>  <Chemical Name>
87394-57-8

>  <PubChem CID>
11959098

>  <Formula>
C10H14ClN3

>  <Molecular Weight>
211.693000

>  <IUPAC Name>
1-(3-chloropyridin-2-yl)-4-methylpiperazine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC=N2)Cl

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC=N2)Cl

>  <InChI Std. ID>
InChI=1S/C10H14ClN3/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8H2,1H3

>  <InChI Key>
FNMDXKBBBVNQQT-UHFFFAOYSA-N

