
 CHEMBL549669

 27 28  0  0  0  0  0  0  0  0999 V2000
   -0.0415    1.7474   -2.5467 C   0  0  0  0  0
   -0.6198    0.4840   -2.4680 C   0  0  0  0  0
    0.0878   -0.5320   -1.8418 C   0  0  0  0  0
    1.3150   -0.3735   -1.2986 N   0  0  0  0  0
    1.8547    0.8790   -1.3894 C   0  0  0  0  0
    1.2195    1.9549   -1.9979 C   0  0  0  0  0
    3.2162    1.0554   -0.7847 C   0  0  0  0  0
    3.7524    2.1559   -0.8156 O   0  0  0  0  0
    3.7104   -0.1147   -0.2489 N   0  0  0  0  0
    4.9440   -0.2733    0.3827 C   0  0  0  0  0
    5.2740   -1.5458    0.8336 C   0  0  0  0  0
    6.4985   -1.7426    1.4663 C   0  0  0  0  0
    7.3587   -0.6638    1.6358 C   0  0  0  0  0
    6.9686    0.5891    1.1652 C   0  0  0  0  0
    5.7700    0.7733    0.5436 N   0  0  0  0  0
    7.8860    1.7907    1.3427 C   0  0  0  0  0
    8.2675    2.3613    0.1643 F   0  0  0  0  0
    7.3338    2.7884    2.0908 F   0  0  0  0  0
    9.0568    1.4758    1.9801 F   0  0  0  0  0
   -0.5677    2.5657   -3.0312 H   0  0  0  0  0
   -1.6029    0.2958   -2.8867 H   0  0  0  0  0
   -0.3323   -1.5311   -1.7605 H   0  0  0  0  0
    1.6967    2.9291   -2.0431 H   0  0  0  0  0
    3.0992   -0.9188   -0.3418 H   0  0  0  0  0
    4.5986   -2.3838    0.6985 H   0  0  0  0  0
    6.7789   -2.7298    1.8238 H   0  0  0  0  0
    8.3172   -0.8024    2.1286 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL549669

>  <PubChem CID>
44189737

>  <Formula>
C12H8F3N3O

>  <Molecular Weight>
267.211000

>  <IUPAC Name>
N-[6-(trifluoromethyl)pyridin-2-yl]pyridine-2-carboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC=CC(=N2)C(F)(F)F

>  <Isomeric SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC=CC(=N2)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C12H8F3N3O/c13-12(14,15)9-5-3-6-10(17-9)18-11(19)8-4-1-2-7-16-8/h1-7H,(H,17,18,19)

>  <InChI Key>
FQPIEHXRKMCSSJ-UHFFFAOYSA-N

