
 CHEMBL541754

 29 30  0  0  0  0  0  0  0  0999 V2000
   -0.6822    1.7768   -0.8313 C   0  0  0  0  0
   -1.1554    0.8077    0.0485 C   0  0  0  0  0
   -0.2705   -0.1536    0.5145 C   0  0  0  0  0
    1.0338   -0.2106    0.1661 N   0  0  0  0  0
    1.4722    0.7647   -0.6823 C   0  0  0  0  0
    0.6578    1.7626   -1.2042 C   0  0  0  0  0
    2.9317    0.7319   -1.0290 C   0  0  0  0  0
    3.4292    1.6537   -1.6648 O   0  0  0  0  0
    3.5723   -0.4016   -0.5657 N   0  0  0  0  0
    4.9379   -0.7278   -0.6544 C   0  0  0  0  0
    5.9104    0.1449   -1.1556 C   0  0  0  0  0
    7.2589   -0.2264   -1.1623 C   0  0  0  0  0
    7.6273   -1.5013   -0.7316 C   0  0  0  0  0
    6.6651   -2.3823   -0.2437 C   0  0  0  0  0
    5.3271   -1.9897   -0.1910 C   0  0  0  0  0
    8.2940    0.5633   -1.5820 O   0  0  0  0  0
    8.0744    1.9615   -1.4775 C   0  0  0  0  0
    9.2949    2.5579   -1.4546 F   0  0  0  0  0
    7.4552    2.3924   -2.6028 F   0  0  0  0  0
   -1.3497    2.5417   -1.2193 H   0  0  0  0  0
   -2.1930    0.8032    0.3652 H   0  0  0  0  0
   -0.6019   -0.9234    1.2066 H   0  0  0  0  0
    1.0574    2.5098   -1.8826 H   0  0  0  0  0
    2.9543   -1.0636   -0.0977 H   0  0  0  0  0
    5.6177    1.1134   -1.5436 H   0  0  0  0  0
    8.6712   -1.8045   -0.7642 H   0  0  0  0  0
    6.9583   -3.3710    0.0994 H   0  0  0  0  0
    4.5923   -2.6885    0.2010 H   0  0  0  0  0
    7.5218    2.2677   -0.5817 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 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 15  2  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL541754

>  <PubChem CID>
44189740

>  <Formula>
C13H10F2N2O2

>  <Molecular Weight>
264.232000

>  <IUPAC Name>
N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC(=CC=C2)OC(F)F

>  <Isomeric SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC(=CC=C2)OC(F)F

>  <InChI Std. ID>
InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)

>  <InChI Key>
DVMQKRGCWAAYQR-UHFFFAOYSA-N

