
 methyl 3-(2-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.0577    0.0660   -0.9629 C   0  0  0  0  0
    2.4781    0.1680   -0.9000 O   0  0  0  0  0
    2.9236    1.0952   -0.0010 C   0  0  0  0  0
    2.1962    1.6945    0.7846 O   0  0  0  0  0
    4.3708    1.1724   -0.0465 C   0  0  0  0  0
    5.2457    1.2144   -1.1242 C   0  0  0  0  0
    6.6185    1.2241   -0.6860 C   0  0  0  0  0
    6.7334    1.2189    0.7033 C   0  0  0  0  0
    5.1975    1.2169    1.4545 S   0  0  0  0  0
    7.9973    1.2249    1.3144 C   0  0  0  0  0
    9.1201    1.2434    0.4851 C   0  0  0  0  0
    8.9161    1.2575   -0.8839 C   0  0  0  0  0
    7.7165    1.2471   -1.4973 N   0  0  0  0  0
   10.5176    1.2466    1.0223 C   0  0  0  0  0
   11.2300    0.1593    0.6179 F   0  0  0  0  0
   11.2302    2.3319    0.6146 F   0  0  0  0  0
   10.5784    1.2479    2.3821 F   0  0  0  0  0
    4.7756    1.2868   -2.5076 C   0  0  0  0  0
    5.4293    0.6153   -3.5357 C   0  0  0  0  0
    4.9351    0.7275   -4.8341 C   0  0  0  0  0
    3.8036    1.4984   -5.0673 C   0  0  0  0  0
    3.2160    2.1365   -3.9895 C   0  0  0  0  0
    3.6769    2.0541   -2.7219 N   0  0  0  0  0
    0.6188    1.0195   -1.2754 H   0  0  0  0  0
    0.6483   -0.2516    0.0018 H   0  0  0  0  0
    0.8040   -0.6908   -1.7112 H   0  0  0  0  0
    8.0907    1.2190    2.3975 H   0  0  0  0  0
    9.7634    1.2785   -1.5697 H   0  0  0  0  0
    6.3123    0.0128   -3.3452 H   0  0  0  0  0
    5.4333    0.2165   -5.6539 H   0  0  0  0  0
    3.3930    1.6016   -6.0647 H   0  0  0  0  0
    2.3295    2.7506   -4.1191 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 29  1  0  0  0
 20 21  2  0  0  0
 20 30  1  0  0  0
 21 22  1  0  0  0
 21 31  1  0  0  0
 22 23  2  0  0  0
 22 32  1  0  0  0
M  END

>  <Chemical Name>
methyl 3-(2-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate

>  <PubChem CID>
1486478

>  <Formula>
C15H9F3N2O2S

>  <Molecular Weight>
338.304000

>  <IUPAC Name>
methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC(=O)C1=C(C2=C(S1)C=C(C=N2)C(F)(F)F)C3=CC=CC=N3

>  <Isomeric SMILES>
COC(=O)C1=C(C2=C(S1)C=C(C=N2)C(F)(F)F)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C15H9F3N2O2S/c1-22-14(21)13-11(9-4-2-3-5-19-9)12-10(23-13)6-8(7-20-12)15(16,17)18/h2-7H,1H3

>  <InChI Key>
DEQDEIDIVREGPF-UHFFFAOYSA-N

