
 CHEMBL3739712

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.0072   -0.5003    0.5206 C   0  0  0  0  0
    2.4844   -0.3402    0.3240 C   0  0  0  0  0
    3.0417    0.9194    0.2555 C   0  0  0  0  0
    4.4107    0.9916    0.0727 C   0  0  0  0  0
    5.1814   -0.1121   -0.0083 N   0  0  0  0  0
    4.5603   -1.3088    0.0667 C   0  0  0  0  0
    3.2239   -1.4609    0.2184 N   0  0  0  0  0
    5.3822   -2.5397   -0.0378 C   0  0  0  0  0
    4.8253   -3.7538   -0.4528 C   0  0  0  0  0
    5.6301   -4.8886   -0.5387 C   0  0  0  0  0
    6.9724   -4.7955   -0.1993 C   0  0  0  0  0
    7.4574   -3.5660    0.2086 C   0  0  0  0  0
    6.7034   -2.4488    0.2926 N   0  0  0  0  0
    5.0965    2.3377   -0.0064 C   0  0  0  0  0
    4.4233    3.1300   -0.9936 O   0  0  0  0  0
    4.5297    4.4873   -0.8761 C   0  0  0  0  0
    5.5249    5.1889   -0.1907 C   0  0  0  0  0
    5.4908    6.5784   -0.1336 C   0  0  0  0  0
    4.4716    7.2754   -0.7682 C   0  0  0  0  0
    3.4879    6.5972   -1.4792 C   0  0  0  0  0
    3.5226    5.2024   -1.5381 C   0  0  0  0  0
    4.4264    8.6124   -0.7037 F   0  0  0  0  0
    6.4391    7.2446    0.5402 F   0  0  0  0  0
    6.5310    4.5434    0.4177 F   0  0  0  0  0
    0.7360   -1.5579    0.5950 H   0  0  0  0  0
    0.4644   -0.0656   -0.3241 H   0  0  0  0  0
    0.6928   -0.0032    1.4438 H   0  0  0  0  0
    2.4349    1.8135    0.3334 H   0  0  0  0  0
    3.7729   -3.8142   -0.7157 H   0  0  0  0  0
    5.2086   -5.8339   -0.8680 H   0  0  0  0  0
    7.6254   -5.6590   -0.2515 H   0  0  0  0  0
    8.4992   -3.4400    0.4892 H   0  0  0  0  0
    6.1445    2.2100   -0.3003 H   0  0  0  0  0
    5.0372    2.7921    0.9903 H   0  0  0  0  0
    2.7002    7.1538   -1.9780 H   0  0  0  0  0
    2.7549    4.6658   -2.0932 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 24  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3739712

>  <PubChem CID>
127040096

>  <Formula>
C17H12F3N3O

>  <Molecular Weight>
331.298000

>  <IUPAC Name>
4-methyl-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=NC(=N1)C2=CC=CC=N2)COC3=C(C(=C(C=C3)F)F)F

>  <Isomeric SMILES>
CC1=CC(=NC(=N1)C2=CC=CC=N2)COC3=C(C(=C(C=C3)F)F)F

>  <InChI Std. ID>
InChI=1S/C17H12F3N3O/c1-10-8-11(23-17(22-10)13-4-2-3-7-21-13)9-24-14-6-5-12(18)15(19)16(14)20/h2-8H,9H2,1H3

>  <InChI Key>
ASKMLQHBZBMWBH-UHFFFAOYSA-N

