
 SCHEMBL2194776

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1302    1.4701   -0.8557 C   0  0  0  0  0
    1.2847    0.7278   -0.5938 C   0  0  0  0  0
    1.2009   -0.5292    0.0383 C   0  0  0  0  0
   -0.0583   -1.0287    0.4155 C   0  0  0  0  0
   -1.2009   -0.2664    0.1439 C   0  0  0  0  0
   -1.1145    0.9702   -0.4881 C   0  0  0  0  0
   -2.4147   -0.7064    0.5077 F   0  0  0  0  0
   -0.2776   -2.4755    1.3372 Cl  0  0  0  0  0
    2.4036   -1.2542    0.2392 N   0  0  0  0  0
    2.6143   -2.6159    0.0710 C   0  0  0  0  0
    3.8743   -2.9723    0.2493 N   0  0  0  0  0
    4.4986   -1.8143    0.5471 C   0  0  0  0  0
    3.6462   -0.7431    0.5592 C   0  0  0  0  0
    4.0836    0.5213    0.9103 N   0  0  0  0  0
    5.4661    0.7331    1.2330 C   0  0  0  0  0
    5.8206    1.8562    1.5336 O   0  0  0  0  0
    6.3552   -0.4572    1.1756 C   0  0  0  0  0
    5.8685   -1.6666    0.8501 C   0  0  0  0  0
    0.1977    2.4308   -1.3640 H   0  0  0  0  0
    2.2299    1.1278   -0.9572 H   0  0  0  0  0
   -2.0221    1.5344   -0.6862 H   0  0  0  0  0
    1.8286   -3.2957   -0.2358 H   0  0  0  0  0
    3.4589    1.3116    0.9962 H   0  0  0  0  0
    7.3972   -0.2935    1.4179 H   0  0  0  0  0
    6.5107   -2.5413    0.8163 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>
SCHEMBL2194776

>  <PubChem CID>
58345737

>  <Formula>
C12H7ClFN3O

>  <Molecular Weight>
263.656000

>  <IUPAC Name>
3-(2-chloro-3-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)F)Cl)N2C=NC3=C2NC(=O)C=C3

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

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

>  <InChI Key>
GPHMVRZLCWKJQL-UHFFFAOYSA-N

