
 SCHEMBL2194913

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.9874   -0.2108    0.0348 C   0  0  0  0  0
    2.4715   -0.0928    0.0893 C   0  0  0  0  0
    3.2787   -1.1455    0.1369 N   0  0  0  0  0
    4.5202   -0.6323    0.0413 C   0  0  0  0  0
    4.5197    0.7310   -0.0471 C   0  0  0  0  0
    3.1896    1.1075   -0.0243 N   0  0  0  0  0
    2.6985    2.4379   -0.1018 C   0  0  0  0  0
    3.3506    3.3751   -0.9179 C   0  0  0  0  0
    2.8787    4.6889   -0.9924 C   0  0  0  0  0
    1.7623    5.0685   -0.2512 C   0  0  0  0  0
    1.1097    4.1453    0.5622 C   0  0  0  0  0
    1.5745    2.8284    0.6371 C   0  0  0  0  0
    1.1284    6.8452   -0.3519 Br  0  0  0  0  0
    5.7026    1.4493   -0.0587 N   0  0  0  0  0
    6.9587    0.7581   -0.0276 C   0  0  0  0  0
    7.9800    1.4164   -0.0411 O   0  0  0  0  0
    6.9021   -0.7263    0.0303 C   0  0  0  0  0
    5.7229   -1.3688    0.0694 C   0  0  0  0  0
    0.7055   -1.2206   -0.2826 H   0  0  0  0  0
    0.5496    0.4879   -0.6838 H   0  0  0  0  0
    0.5501   -0.0438    1.0230 H   0  0  0  0  0
    4.1867    3.1011   -1.5571 H   0  0  0  0  0
    3.3767    5.4058   -1.6422 H   0  0  0  0  0
    0.2427    4.4431    1.1486 H   0  0  0  0  0
    1.0650    2.1523    1.3184 H   0  0  0  0  0
    5.7241    2.4596   -0.0395 H   0  0  0  0  0
    7.8514   -1.2460    0.0512 H   0  0  0  0  0
    5.6740   -2.4522    0.1234 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 18  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194913

>  <PubChem CID>
58345699

>  <Formula>
C13H10BrN3O

>  <Molecular Weight>
304.147000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)Br)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)Br)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C13H10BrN3O/c1-8-15-11-6-7-12(18)16-13(11)17(8)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,18)

>  <InChI Key>
DYLWHRDRGRQUCO-UHFFFAOYSA-N

