
 SCHEMBL2191670

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.0227    1.4380   -0.6122 C   0  0  0  0  0
    1.1795    0.7537   -0.4040 C   0  0  0  0  0
    1.1698   -0.5391    0.1422 C   0  0  0  0  0
   -0.0585   -1.1356    0.4561 C   0  0  0  0  0
   -1.2554   -0.4467    0.2496 C   0  0  0  0  0
   -1.2393    0.8410   -0.2822 C   0  0  0  0  0
   -2.7628   -1.1714    0.6560 Cl  0  0  0  0  0
   -0.0991   -2.3550    1.0136 F   0  0  0  0  0
    2.3842   -1.2434    0.3462 N   0  0  0  0  0
    2.5647   -2.6213    0.3571 C   0  0  0  0  0
    3.8299   -2.9804    0.4821 N   0  0  0  0  0
    4.4870   -1.8090    0.5945 C   0  0  0  0  0
    3.6504   -0.7248    0.5491 C   0  0  0  0  0
    4.1313    0.5556    0.7606 N   0  0  0  0  0
    5.5345    0.7680    0.9791 C   0  0  0  0  0
    5.9213    1.9049    1.1600 O   0  0  0  0  0
    6.4011   -0.4393    0.9758 C   0  0  0  0  0
    5.8754   -1.6624    0.7974 C   0  0  0  0  0
   -0.0160    2.4348   -1.0518 H   0  0  0  0  0
    2.0916    1.2350   -0.7462 H   0  0  0  0  0
   -2.1698    1.3797   -0.4498 H   0  0  0  0  0
    1.7479   -3.3203    0.2216 H   0  0  0  0  0
    3.5304    1.3648    0.8293 H   0  0  0  0  0
    7.4589   -0.2763    1.1376 H   0  0  0  0  0
    6.5004   -2.5501    0.8084 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  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 21  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 24  1  0  0  0
 18 25  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2191670

>  <PubChem CID>
58345749

>  <Formula>
C12H7ClFN3O

>  <Molecular Weight>
263.656000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C12H7ClFN3O/c13-7-2-1-3-9(11(7)14)17-6-15-8-4-5-10(18)16-12(8)17/h1-6H,(H,16,18)

>  <InChI Key>
AXAJWWDMDGUDRX-UHFFFAOYSA-N

