
 SCHEMBL2194958

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8683    0.8565   -0.6426 C   0  0  0  0  0
   -1.4153   -0.1292    0.1802 C   0  0  0  0  0
   -0.5793   -1.0257    0.8439 C   0  0  0  0  0
    0.7992   -0.9400    0.6754 C   0  0  0  0  0
    1.3553    0.0334   -0.1559 C   0  0  0  0  0
    0.5163    0.9473   -0.8094 C   0  0  0  0  0
    2.7557    0.1229   -0.3150 N   0  0  0  0  0
    3.4918    1.2907   -0.3235 C   0  0  0  0  0
    4.7910    0.9074   -0.5077 C   0  0  0  0  0
    5.8374    1.8531   -0.5425 C   0  0  0  0  0
    5.5657    3.1585   -0.3744 C   0  0  0  0  0
    4.1730    3.6255   -0.1407 C   0  0  0  0  0
    3.8445    4.7819    0.0369 O   0  0  0  0  0
    3.1524    2.6167   -0.1211 N   0  0  0  0  0
    4.9263   -0.4278   -0.6271 N   0  0  0  0  0
    3.6912   -0.8944   -0.5195 C   0  0  0  0  0
    3.3271   -2.7091   -0.8687 Br  0  0  0  0  0
    1.5786   -1.7467    1.4069 F   0  0  0  0  0
   -1.5289    1.5465   -1.1656 H   0  0  0  0  0
   -2.4941   -0.1969    0.3073 H   0  0  0  0  0
   -0.9942   -1.7824    1.5043 H   0  0  0  0  0
    0.9027    1.6973   -1.4960 H   0  0  0  0  0
    6.8538    1.5070   -0.7048 H   0  0  0  0  0
    6.3338    3.9212   -0.3911 H   0  0  0  0  0
    2.2066    2.9114    0.0841 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>
SCHEMBL2194958

>  <PubChem CID>
58345661

>  <Formula>
C12H7BrFN3O

>  <Molecular Weight>
308.110000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C12H7BrFN3O/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>
KTKBMJHROVRPAM-UHFFFAOYSA-N

