
 SCHEMBL2193699

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.0758   -1.4398    0.4085 C   0  0  0  0  0
   -1.0948   -0.5096    0.2392 C   0  0  0  0  0
   -0.7901    0.8372    0.0396 C   0  0  0  0  0
    0.5413    1.2703    0.0282 C   0  0  0  0  0
    1.5782    0.3193    0.1534 C   0  0  0  0  0
    1.2570   -1.0328    0.3544 C   0  0  0  0  0
    2.9486    0.7043    0.0649 N   0  0  0  0  0
    3.4892    1.6393   -0.8047 C   0  0  0  0  0
    4.8355    1.6547   -0.5563 C   0  0  0  0  0
    5.7031    2.5122   -1.2672 C   0  0  0  0  0
    5.2134    3.3251   -2.2182 C   0  0  0  0  0
    3.7635    3.3281   -2.5476 C   0  0  0  0  0
    3.2403    4.0298   -3.3913 O   0  0  0  0  0
    2.9387    2.4271   -1.8002 N   0  0  0  0  0
    5.1972    0.7847    0.4065 N   0  0  0  0  0
    4.0554    0.2313    0.7650 C   0  0  0  0  0
    3.9220   -0.7889    2.1300 Cl  0  0  0  0  0
    0.8944    2.5875   -0.0694 O   0  0  0  0  0
   -0.0300    3.5644    0.4050 C   0  0  0  0  0
    0.6583    4.7000    0.6403 F   0  0  0  0  0
   -0.9541    3.8109   -0.5429 F   0  0  0  0  0
   -0.6280    3.1804    1.5475 F   0  0  0  0  0
   -0.3194   -2.4888    0.5696 H   0  0  0  0  0
   -2.1331   -0.8335    0.2700 H   0  0  0  0  0
   -1.6236    1.5243   -0.0893 H   0  0  0  0  0
    2.0181   -1.8067    0.4314 H   0  0  0  0  0
    6.7618    2.5061   -1.0252 H   0  0  0  0  0
    5.8379    4.0064   -2.7829 H   0  0  0  0  0
    1.9467    2.4123   -1.9989 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  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 26  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 27  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 18 19  1  0  0  0
 19 22  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193699

>  <PubChem CID>
58345731

>  <Formula>
C13H7ClF3N3O2

>  <Molecular Weight>
329.663000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C(=C1)N2C3=C(C=CC(=O)N3)N=C2Cl)OC(F)(F)F

>  <Isomeric SMILES>
C1=CC=C(C(=C1)N2C3=C(C=CC(=O)N3)N=C2Cl)OC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C13H7ClF3N3O2/c14-12-18-7-5-6-10(21)19-11(7)20(12)8-3-1-2-4-9(8)22-13(15,16)17/h1-6H,(H,19,21)

>  <InChI Key>
GFARNKWUMAMUQA-UHFFFAOYSA-N

