
 SCHEMBL2196891

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.0612    0.3321    0.7383 C   0  0  0  0  0
    2.4288    0.1525    0.1315 C   0  0  0  0  0
    3.1634    1.3286   -0.1221 C   0  0  0  0  0
    4.4945    1.2831   -0.5532 C   0  0  0  0  0
    5.1185    0.0497   -0.7340 C   0  0  0  0  0
    4.4009   -1.1306   -0.5098 C   0  0  0  0  0
    3.0506   -1.0877   -0.1142 C   0  0  0  0  0
    2.3721   -2.3244    0.0249 N   0  0  0  0  0
    2.8955   -3.4968    0.5530 C   0  0  0  0  0
    2.0232   -4.4886    0.5722 N   0  0  0  0  0
    0.9224   -3.9600   -0.0051 C   0  0  0  0  0
    1.1015   -2.6584   -0.3916 C   0  0  0  0  0
    0.1422   -1.9870   -1.1253 N   0  0  0  0  0
   -1.0982   -2.6347   -1.4406 C   0  0  0  0  0
   -1.9255   -2.0154   -2.0803 O   0  0  0  0  0
   -1.2620   -4.0319   -0.9580 C   0  0  0  0  0
   -0.2785   -4.6478   -0.2802 C   0  0  0  0  0
    6.7587   -0.1031   -1.2511 Cl  0  0  0  0  0
    5.3789    2.9367   -0.8453 Br  0  0  0  0  0
    1.0665    1.1718    1.4433 H   0  0  0  0  0
    0.7491   -0.5410    1.3177 H   0  0  0  0  0
    0.3216    0.5459   -0.0378 H   0  0  0  0  0
    2.6978    2.2995    0.0534 H   0  0  0  0  0
    4.9037   -2.0788   -0.6979 H   0  0  0  0  0
    3.9029   -3.5534    0.9488 H   0  0  0  0  0
    0.2960   -1.0594   -1.4960 H   0  0  0  0  0
   -2.1997   -4.5178   -1.1958 H   0  0  0  0  0
   -0.3867   -5.6729    0.0604 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  2  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  2  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 25  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 26  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2196891

>  <PubChem CID>
58345711

>  <Formula>
C13H9BrClN3O

>  <Molecular Weight>
338.589000

>  <IUPAC Name>
3-(4-bromo-5-chloro-2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=C(C=C1N2C=NC3=C2NC(=O)C=C3)Cl)Br

>  <Isomeric SMILES>
CC1=CC(=C(C=C1N2C=NC3=C2NC(=O)C=C3)Cl)Br

>  <InChI Std. ID>
InChI=1S/C13H9BrClN3O/c1-7-4-8(14)9(15)5-11(7)18-6-16-10-2-3-12(19)17-13(10)18/h2-6H,1H3,(H,17,19)

>  <InChI Key>
KSWCVVPMGZVFCM-UHFFFAOYSA-N

