
 1-(3-nitropyridin-2-yl)piperazine

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.0824    1.2152   -0.1040 C   0  0  0  0  0
   -0.4382    1.4872   -0.0430 C   0  0  0  0  0
   -1.2331    0.2372   -0.0006 N   0  0  0  0  0
   -0.7236   -0.7343    0.9960 C   0  0  0  0  0
    0.8124   -0.9176    0.9492 C   0  0  0  0  0
    1.5635    0.3552    0.9949 N   0  0  0  0  0
   -1.4870   -0.3066   -1.2687 C   0  0  0  0  0
   -2.4436    0.2247   -2.1358 C   0  0  0  0  0
   -2.6523   -0.3024   -3.4154 C   0  0  0  0  0
   -1.8893   -1.3903   -3.8104 C   0  0  0  0  0
   -0.9738   -1.8968   -2.9056 C   0  0  0  0  0
   -0.7695   -1.3863   -1.6662 N   0  0  0  0  0
   -3.2892    1.3072   -1.7105 N   0  0  0  0  0
   -3.0579    2.4209   -2.2047 O   0  0  0  0  0
   -4.2304    1.0358   -0.9525 O   0  0  0  0  0
    1.3476    0.7579   -1.0652 H   0  0  0  0  0
    1.6172    2.1702   -0.0543 H   0  0  0  0  0
   -0.7225    2.1315   -0.8818 H   0  0  0  0  0
   -0.6615    2.0552    0.8690 H   0  0  0  0  0
   -0.9931   -0.3494    1.9885 H   0  0  0  0  0
   -1.2297   -1.7041    0.9057 H   0  0  0  0  0
    1.1204   -1.5289    1.8051 H   0  0  0  0  0
    1.1137   -1.4742    0.0553 H   0  0  0  0  0
    1.3478    0.8166    1.8787 H   0  0  0  0  0
   -3.3992    0.1199   -4.0822 H   0  0  0  0  0
   -2.0099   -1.8398   -4.7901 H   0  0  0  0  0
   -0.3545   -2.7543   -3.1556 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3  7  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 22  1  0  0  0
  5 23  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
M  CHG  2  13   1  15  -1
M  END

>  <Chemical Name>
1-(3-nitropyridin-2-yl)piperazine

>  <PubChem CID>
3778834

>  <Formula>
C9H12N4O2

>  <Molecular Weight>
208.221000

>  <IUPAC Name>


>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1)C2=C(C=CC=N2)[N+](=O)[O-]

>  <Isomeric SMILES>
C1CN(CCN1)C2=C(C=CC=N2)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-11-9(8)12-6-4-10-5-7-12/h1-3,10H,4-7H2

>  <InChI Key>
HSAKGWZDXDRYTB-UHFFFAOYSA-N

