
 SCHEMBL2191477

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0796    1.2739   -1.0643 C   0  0  0  0  0
    1.2337    0.5400   -0.7822 C   0  0  0  0  0
    1.1593   -0.6333   -0.0058 C   0  0  0  0  0
   -0.0777   -1.0483    0.5104 C   0  0  0  0  0
   -1.2206   -0.2974    0.2154 C   0  0  0  0  0
   -1.1502    0.8510   -0.5682 C   0  0  0  0  0
   -2.4163   -0.6589    0.7040 F   0  0  0  0  0
   -0.2478   -2.3610    1.6229 Cl  0  0  0  0  0
    2.3601   -1.3509    0.2243 N   0  0  0  0  0
    3.5729   -0.7980    0.5826 C   0  0  0  0  0
    4.4575   -1.8390    0.6150 C   0  0  0  0  0
    5.8087   -1.6415    0.9700 C   0  0  0  0  0
    6.2421   -0.4122    1.2963 C   0  0  0  0  0
    5.3140    0.7501    1.2972 C   0  0  0  0  0
    5.6224    1.8888    1.5895 O   0  0  0  0  0
    3.9533    0.4873    0.9252 N   0  0  0  0  0
    3.8879   -3.0152    0.2831 N   0  0  0  0  0
    2.6278   -2.7169    0.0338 C   0  0  0  0  0
    1.7342   -3.5969   -0.4565 N   0  0  0  0  0
    0.1340    2.1666   -1.6855 H   0  0  0  0  0
    2.1702    0.8702   -1.2306 H   0  0  0  0  0
   -2.0577    1.4103   -0.7807 H   0  0  0  0  0
    6.4807   -2.4942    0.9728 H   0  0  0  0  0
    7.2684   -0.2105    1.5759 H   0  0  0  0  0
    3.2995    1.2583    0.9561 H   0  0  0  0  0
    2.0318   -4.5710   -0.4324 H   0  0  0  0  0
    0.7472   -3.5102   -0.2284 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 12 23  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 25  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 26  1  0  0  0
 19 27  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2191477

>  <PubChem CID>
58345758

>  <Formula>
C12H8ClFN4O

>  <Molecular Weight>
278.671000

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

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=C(C(=C1)F)Cl)N2C3=C(C=CC(=O)N3)N=C2N

>  <Isomeric SMILES>
C1=CC(=C(C(=C1)F)Cl)N2C3=C(C=CC(=O)N3)N=C2N

>  <InChI Std. ID>
InChI=1S/C12H8ClFN4O/c13-10-6(14)2-1-3-8(10)18-11-7(16-12(18)15)4-5-9(19)17-11/h1-5H,(H2,15,16)(H,17,19)

>  <InChI Key>
HPTVAYUYTIALTF-UHFFFAOYSA-N

