
 3-(2-thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.2760    0.0801   -0.0862 C   0  0  0  0  0
   -0.8119    1.1938    0.5730 C   0  0  0  0  0
    0.8585    1.0849    0.9070 S   0  0  0  0  0
    0.9910   -0.4544    0.1587 C   0  0  0  0  0
   -0.2398   -0.8744   -0.3113 C   0  0  0  0  0
    2.2660   -1.2748    0.0836 C   0  0  0  0  0
    3.5511   -0.7507    0.1159 C   0  0  0  0  0
    4.7442   -1.9802    0.1773 S   0  0  0  0  0
    3.5873   -3.2304    0.0555 C   0  0  0  0  0
    2.2904   -2.7197    0.0056 C   0  0  0  0  0
    1.2046   -3.5456   -0.0577 N   0  0  0  0  0
    1.4481   -4.8703   -0.0816 C   0  0  0  0  0
    2.7001   -5.4571   -0.0460 C   0  0  0  0  0
    3.8119   -4.6151    0.0215 C   0  0  0  0  0
    2.8518   -6.9459   -0.0741 C   0  0  0  0  0
    3.5402   -7.3768   -1.1661 F   0  0  0  0  0
    3.5299   -7.4201    1.0068 F   0  0  0  0  0
    1.6662   -7.6153   -0.0927 F   0  0  0  0  0
    4.0407    0.6033    0.0589 C   0  0  0  0  0
    4.9668    1.1013    0.6827 O   0  0  0  0  0
    3.4130    1.3194   -0.8993 O   0  0  0  0  0
   -2.3071   -0.0503   -0.3904 H   0  0  0  0  0
   -1.3739    2.0659    0.8777 H   0  0  0  0  0
   -0.4053   -1.8160   -0.8196 H   0  0  0  0  0
    0.5466   -5.4810   -0.1289 H   0  0  0  0  0
    4.8224   -5.0165    0.0594 H   0  0  0  0  0
    3.8421    2.1975   -0.8449 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  5 24  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 26  1  0  0  0
 15 18  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 27  1  0  0  0
M  END

>  <Chemical Name>
3-(2-thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

>  <PubChem CID>
1486483

>  <Formula>
C13H6F3NO2S2

>  <Molecular Weight>
329.311000

>  <IUPAC Name>
3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CSC(=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)O

>  <Isomeric SMILES>
C1=CSC(=C1)C2=C(SC3=C2N=CC(=C3)C(F)(F)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C13H6F3NO2S2/c14-13(15,16)6-4-8-10(17-5-6)9(7-2-1-3-20-7)11(21-8)12(18)19/h1-5H,(H,18,19)

>  <InChI Key>
DATGNBAKWXHSMN-UHFFFAOYSA-N

