
 SCHEMBL2191655

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.9899   -0.1435   -0.1929 C   0  0  0  0  0
    2.4660   -0.0728   -0.0008 C   0  0  0  0  0
    3.2533   -1.1424    0.0342 N   0  0  0  0  0
    4.5073   -0.6461    0.0599 C   0  0  0  0  0
    4.5300    0.7190    0.0464 C   0  0  0  0  0
    3.2097    1.1124    0.0433 N   0  0  0  0  0
    2.7565    2.4495   -0.0011 C   0  0  0  0  0
    3.2844    3.2901   -0.9959 C   0  0  0  0  0
    2.8530    4.6136   -1.0894 C   0  0  0  0  0
    1.9108    5.1060   -0.1890 C   0  0  0  0  0
    1.4048    4.2801    0.8162 C   0  0  0  0  0
    1.8268    2.9512    0.9204 C   0  0  0  0  0
    1.2772    2.0590    2.2924 Cl  0  0  0  0  0
    5.7159    1.4274    0.0935 N   0  0  0  0  0
    6.9629    0.7202    0.1339 C   0  0  0  0  0
    7.9924    1.3654    0.1705 O   0  0  0  0  0
    6.8866   -0.7661    0.1291 C   0  0  0  0  0
    5.7004   -1.3975    0.0963 C   0  0  0  0  0
    0.7469   -0.9722   -0.8668 H   0  0  0  0  0
    0.5801    0.7664   -0.6391 H   0  0  0  0  0
    0.4882   -0.3356    0.7594 H   0  0  0  0  0
    3.9914    2.9237   -1.7384 H   0  0  0  0  0
    3.2408    5.2623   -1.8732 H   0  0  0  0  0
    1.5746    6.1387   -0.2627 H   0  0  0  0  0
    0.6923    4.6899    1.5300 H   0  0  0  0  0
    5.7397    2.4378    0.1318 H   0  0  0  0  0
    7.8293   -1.2974    0.1590 H   0  0  0  0  0
    5.6386   -2.4812    0.0980 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 24  1  0  0  0
 11 12  2  0  0  0
 11 25  1  0  0  0
 12 13  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>
SCHEMBL2191655

>  <PubChem CID>
58345690

>  <Formula>
C13H10ClN3O

>  <Molecular Weight>
259.693000

>  <IUPAC Name>
3-(2-chlorophenyl)-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=CC=C3Cl)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=CC=C3Cl)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C13H10ClN3O/c1-8-15-10-6-7-12(18)16-13(10)17(8)11-5-3-2-4-9(11)14/h2-7H,1H3,(H,16,18)

>  <InChI Key>
AZNGUXOEPNAQPD-UHFFFAOYSA-N

