
 SCHEMBL2195088

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8237    1.0061   -0.8428 C   0  0  0  0  0
   -1.4286    0.0870    0.0122 C   0  0  0  0  0
   -0.6473   -0.7982    0.7574 C   0  0  0  0  0
    0.7458   -0.7817    0.6407 C   0  0  0  0  0
    1.3503    0.1238   -0.2427 C   0  0  0  0  0
    0.5650    1.0345   -0.9685 C   0  0  0  0  0
    2.7474    0.1728   -0.4225 N   0  0  0  0  0
    3.5360    1.2903   -0.2723 C   0  0  0  0  0
    4.8057    0.8860   -0.5771 C   0  0  0  0  0
    5.8937    1.7809   -0.5007 C   0  0  0  0  0
    5.6879    3.0519   -0.1137 C   0  0  0  0  0
    4.3256    3.5355    0.2425 C   0  0  0  0  0
    4.0581    4.6636    0.6063 O   0  0  0  0  0
    3.2603    2.5789    0.1430 N   0  0  0  0  0
    4.8623   -0.4100   -0.9504 N   0  0  0  0  0
    3.6065   -0.8251   -0.8777 C   0  0  0  0  0
    3.0983   -2.5135   -1.5343 Br  0  0  0  0  0
    1.7198   -1.8787    1.8488 Br  0  0  0  0  0
   -1.4409    1.6913   -1.4215 H   0  0  0  0  0
   -2.5127    0.0648    0.1081 H   0  0  0  0  0
   -1.1398   -1.4857    1.4431 H   0  0  0  0  0
    1.0063    1.7378   -1.6727 H   0  0  0  0  0
    6.8869    1.4252   -0.7578 H   0  0  0  0  0
    6.4899    3.7754   -0.0387 H   0  0  0  0  0
    2.3290    2.8749    0.4077 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 21  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 14  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2195088

>  <PubChem CID>
58345725

>  <Formula>
C12H7Br2N3O

>  <Molecular Weight>
369.016000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C(=C1)N2C3=C(C=CC(=O)N3)N=C2Br)Br

>  <Isomeric SMILES>
C1=CC=C(C(=C1)N2C3=C(C=CC(=O)N3)N=C2Br)Br

>  <InChI Std. ID>
InChI=1S/C12H7Br2N3O/c13-7-3-1-2-4-9(7)17-11-8(15-12(17)14)5-6-10(18)16-11/h1-6H,(H,16,18)

>  <InChI Key>
IQNMOSSBTXYEAE-UHFFFAOYSA-N

