
 2-hydroxy-5-nitrobenzaldehyde pyridin-2-ylhydrazone

 29 30  0  0  0  0  0  0  0  0999 V2000
    6.8734    0.8841   -4.1127 C   0  0  0  0  0
    6.1137    2.0131   -4.3844 C   0  0  0  0  0
    5.0474    2.2927   -3.5484 C   0  0  0  0  0
    4.6988    1.5311   -2.4872 N   0  0  0  0  0
    5.4446    0.4329   -2.2319 C   0  0  0  0  0
    6.5343    0.0829   -3.0248 C   0  0  0  0  0
    5.0131   -0.3731   -1.1688 N   0  0  0  0  0
    5.8708   -1.2159   -0.5415 N   0  0  0  0  0
    5.2670   -2.0715    0.2236 C   0  0  0  0  0
    6.0182   -3.0775    0.9974 C   0  0  0  0  0
    7.4167   -3.0687    1.0763 C   0  0  0  0  0
    8.0887   -4.0385    1.8193 C   0  0  0  0  0
    7.3682   -5.0327    2.4858 C   0  0  0  0  0
    5.9689   -5.0441    2.4017 C   0  0  0  0  0
    5.2862   -4.0674    1.6620 C   0  0  0  0  0
    5.2053   -6.0927    3.0925 N   0  0  0  0  0
    3.9730   -6.0813    2.9627 O   0  0  0  0  0
    5.8371   -6.9207    3.7599 O   0  0  0  0  0
    8.1931   -2.1326    0.4519 O   0  0  0  0  0
    7.7164    0.6202   -4.7442 H   0  0  0  0  0
    6.3426    2.6551   -5.2268 H   0  0  0  0  0
    4.4186    3.1622   -3.7182 H   0  0  0  0  0
    7.1047   -0.8138   -2.8086 H   0  0  0  0  0
    4.2773    0.1139   -0.6584 H   0  0  0  0  0
    4.1642   -2.0894    0.3090 H   0  0  0  0  0
    9.1751   -4.0190    1.8766 H   0  0  0  0  0
    7.9091   -5.7841    3.0586 H   0  0  0  0  0
    4.2003   -4.0803    1.5955 H   0  0  0  0  0
    7.5987   -1.5326   -0.0527 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 19  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 28  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 19 29  1  0  0  0
M  CHG  2  16   1  18  -1
M  END

>  <Chemical Name>
2-hydroxy-5-nitrobenzaldehyde pyridin-2-ylhydrazone

>  <PubChem CID>
135504329

>  <Formula>
C12H10N4O3

>  <Molecular Weight>
258.237000

>  <IUPAC Name>
4-nitro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=NC(=C1)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])O

>  <Isomeric SMILES>
C1=CC=NC(=C1)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])O

>  <InChI Std. ID>
InChI=1S/C12H10N4O3/c17-11-5-4-10(16(18)19)7-9(11)8-14-15-12-3-1-2-6-13-12/h1-8,17H,(H,13,15)/b14-8+

>  <InChI Key>
CUNAVCPCBQISRG-RIYZIHGNSA-N

