
 SCHEMBL2195804

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8178    1.4522   -0.4910 C   0  0  0  0  0
   -1.4853    0.3942    0.1167 C   0  0  0  0  0
   -0.7652   -0.6985    0.5990 C   0  0  0  0  0
    0.6293   -0.7480    0.4713 C   0  0  0  0  0
    1.3065    0.3138   -0.1515 C   0  0  0  0  0
    0.5712    1.4175   -0.6243 C   0  0  0  0  0
    2.7073    0.3179   -0.3603 N   0  0  0  0  0
    3.5048   -0.7309   -0.7948 C   0  0  0  0  0
    4.7677   -0.3832   -0.9737 N   0  0  0  0  0
    4.7891    0.9275   -0.6530 C   0  0  0  0  0
    3.5611    1.3983   -0.2734 C   0  0  0  0  0
    3.3867    2.7029    0.1503 N   0  0  0  0  0
    4.5039    3.6027    0.1623 C   0  0  0  0  0
    4.3210    4.7448    0.5359 O   0  0  0  0  0
    5.8104    3.0500   -0.2851 C   0  0  0  0  0
    5.9235    1.7662   -0.6658 C   0  0  0  0  0
    1.4832   -2.2089    1.3400 Br  0  0  0  0  0
   -1.3851    2.2967   -0.8782 H   0  0  0  0  0
   -2.5684    0.4191    0.2201 H   0  0  0  0  0
   -1.3066   -1.5040    1.0930 H   0  0  0  0  0
    1.0443    2.2367   -1.1623 H   0  0  0  0  0
    3.1046   -1.7121   -1.0186 H   0  0  0  0  0
    2.5007    3.0469    0.4960 H   0  0  0  0  0
    6.6510    3.7319   -0.2764 H   0  0  0  0  0
    6.8762    1.3556   -0.9849 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 25  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2195804

>  <PubChem CID>
58345700

>  <Formula>
C12H8BrN3O

>  <Molecular Weight>
290.120000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C12H8BrN3O/c13-8-3-1-2-4-10(8)16-7-14-9-5-6-11(17)15-12(9)16/h1-7H,(H,15,17)

>  <InChI Key>
CXEUIIDIUVDLRZ-UHFFFAOYSA-N

