
 SCHEMBL2196084

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8483    1.0116   -0.7883 C   0  0  0  0  0
   -1.4477    0.1210    0.1006 C   0  0  0  0  0
   -0.6609   -0.7403    0.8673 C   0  0  0  0  0
    0.7307   -0.7281    0.7394 C   0  0  0  0  0
    1.3300    0.1483   -0.1762 C   0  0  0  0  0
    0.5398    1.0356   -0.9253 C   0  0  0  0  0
    2.7281    0.1887   -0.3589 N   0  0  0  0  0
    3.5138    1.3168   -0.2858 C   0  0  0  0  0
    4.7859    0.8961   -0.5557 C   0  0  0  0  0
    5.8718    1.7966   -0.5389 C   0  0  0  0  0
    5.6623    3.0911   -0.2429 C   0  0  0  0  0
    4.2981    3.5945    0.0747 C   0  0  0  0  0
    4.0265    4.7446    0.3587 O   0  0  0  0  0
    3.2346    2.6316    0.0388 N   0  0  0  0  0
    4.8484   -0.4233   -0.8317 N   0  0  0  0  0
    3.5945   -0.8380   -0.7312 C   0  0  0  0  0
    3.0996   -2.5724   -1.2684 Br  0  0  0  0  0
    1.6344   -1.6895    1.8541 Cl  0  0  0  0  0
   -1.4698    1.6781   -1.3843 H   0  0  0  0  0
   -2.5311    0.1026    0.2055 H   0  0  0  0  0
   -1.1432   -1.4069    1.5800 H   0  0  0  0  0
    0.9754    1.7149   -1.6562 H   0  0  0  0  0
    6.8666    1.4258   -0.7667 H   0  0  0  0  0
    6.4626    3.8198   -0.2160 H   0  0  0  0  0
    2.3037    2.9437    0.2829 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>
SCHEMBL2196084

>  <PubChem CID>
58345685

>  <Formula>
C12H7BrClN3O

>  <Molecular Weight>
324.562000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C12H7BrClN3O/c13-12-15-8-5-6-10(18)16-11(8)17(12)9-4-2-1-3-7(9)14/h1-6H,(H,16,18)

>  <InChI Key>
ALUIFBAJMZOTNU-UHFFFAOYSA-N

