
 SCHEMBL2193674

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2964   -0.6143    0.5230 C   0  0  0  0  0
   -1.3703    0.5787   -0.1899 C   0  0  0  0  0
   -0.2046    1.2729   -0.5366 C   0  0  0  0  0
    1.0570    0.7723   -0.1634 C   0  0  0  0  0
    1.1207   -0.4362    0.5573 C   0  0  0  0  0
   -0.0540   -1.1193    0.8947 C   0  0  0  0  0
    2.5886   -1.0959    1.1946 Cl  0  0  0  0  0
    2.2437    1.4610   -0.5150 N   0  0  0  0  0
    3.3788    0.9196   -1.1038 C   0  0  0  0  0
    4.3294    1.8120   -1.3147 N   0  0  0  0  0
    3.8014    2.9618   -0.8438 C   0  0  0  0  0
    2.5361    2.7985   -0.3468 C   0  0  0  0  0
    1.8451    3.8498    0.2256 N   0  0  0  0  0
    2.4419    5.1525    0.2769 C   0  0  0  0  0
    1.8058    6.0614    0.7743 O   0  0  0  0  0
    3.8122    5.2798   -0.2877 C   0  0  0  0  0
    4.4427    4.2180   -0.8173 C   0  0  0  0  0
   -0.4274    2.6728   -1.5292 Cl  0  0  0  0  0
   -2.2056   -1.1518    0.7865 H   0  0  0  0  0
   -2.3480    0.9522   -0.4927 H   0  0  0  0  0
   -0.0089   -2.0460    1.4656 H   0  0  0  0  0
    3.4416   -0.1249   -1.3865 H   0  0  0  0  0
    0.9065    3.7471    0.5877 H   0  0  0  0  0
    4.2618    6.2639   -0.2443 H   0  0  0  0  0
    5.4439    4.3054   -1.2275 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 21  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 24  1  0  0  0
 17 25  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193674

>  <PubChem CID>
58345689

>  <Formula>
C12H7Cl2N3O

>  <Molecular Weight>
280.108000

>  <IUPAC Name>
3-(2,6-dichlorophenyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=C(C(=C1)Cl)N2C=NC3=C2NC(=O)C=C3)Cl

>  <Isomeric SMILES>
C1=CC(=C(C(=C1)Cl)N2C=NC3=C2NC(=O)C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C12H7Cl2N3O/c13-7-2-1-3-8(14)11(7)17-6-15-9-4-5-10(18)16-12(9)17/h1-6H,(H,16,18)

>  <InChI Key>
BQKOBRJJXDLSQX-UHFFFAOYSA-N

