
 SCHEMBL2194383

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.9907   -0.1147   -0.2203 C   0  0  0  0  0
    2.4658   -0.0621   -0.0155 C   0  0  0  0  0
    3.2423   -1.1391    0.0322 N   0  0  0  0  0
    4.5011   -0.6542    0.0642 C   0  0  0  0  0
    4.5365    0.7109    0.0434 C   0  0  0  0  0
    3.2208    1.1147    0.0348 N   0  0  0  0  0
    2.7792    2.4537   -0.0200 C   0  0  0  0  0
    3.2733    3.2608   -1.0586 C   0  0  0  0  0
    2.8509    4.5852   -1.1711 C   0  0  0  0  0
    1.9517    5.1112   -0.2462 C   0  0  0  0  0
    1.4813    4.3193    0.8030 C   0  0  0  0  0
    1.8952    2.9890    0.9270 C   0  0  0  0  0
    1.3488    2.0681    2.4958 Br  0  0  0  0  0
    5.7272    1.4095    0.0861 N   0  0  0  0  0
    6.9687    0.6933    0.1330 C   0  0  0  0  0
    8.0037    1.3295    0.1658 O   0  0  0  0  0
    6.8793   -0.7928    0.1392 C   0  0  0  0  0
    5.6880   -1.4150    0.1082 C   0  0  0  0  0
    0.7469   -0.9176   -0.9241 H   0  0  0  0  0
    0.5891    0.8131   -0.6357 H   0  0  0  0  0
    0.4816   -0.3356    0.7217 H   0  0  0  0  0
    3.9473    2.8664   -1.8173 H   0  0  0  0  0
    3.2117    5.2082   -1.9876 H   0  0  0  0  0
    1.6223    6.1449   -0.3347 H   0  0  0  0  0
    0.8039    4.7611    1.5320 H   0  0  0  0  0
    5.7575    2.4215    0.1128 H   0  0  0  0  0
    7.8176   -1.3315    0.1745 H   0  0  0  0  0
    5.6176   -2.4981    0.1168 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 18  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 11 12  2  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194383

>  <PubChem CID>
58345653

>  <Formula>
C13H10BrN3O

>  <Molecular Weight>
304.147000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=CC=C3Br)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=CC=C3Br)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C13H10BrN3O/c1-8-15-10-6-7-12(18)16-13(10)17(8)11-5-3-2-4-9(11)14/h2-7H,1H3,(H,16,18)

>  <InChI Key>
FHZHVPFHDLTNGQ-UHFFFAOYSA-N

