
 Quinoline,2-[2-(5-fluoro-2-pyrimidinyl)ethynyl]-

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4066    0.6899   -0.0217 C   0  0  0  0  0
    2.3776   -0.7001   -0.0230 C   0  0  0  0  0
    1.1510   -1.3717   -0.0212 C   0  0  0  0  0
   -0.0571   -0.6873   -0.0170 C   0  0  0  0  0
   -0.0211    0.7250   -0.0187 C   0  0  0  0  0
    1.2101    1.4036   -0.0206 C   0  0  0  0  0
   -1.2398    1.4151   -0.0159 C   0  0  0  0  0
   -2.4334    0.7033   -0.0060 C   0  0  0  0  0
   -2.3629   -0.6786   -0.0001 C   0  0  0  0  0
   -1.2095   -1.3797   -0.0080 N   0  0  0  0  0
   -3.5495   -1.4713    0.0353 C   0  0  0  0  0
   -4.5639   -2.1099    0.0850 C   0  0  0  0  0
   -5.7860   -2.8343    0.1648 C   0  0  0  0  0
   -5.7035   -4.1765    0.1653 N   0  0  0  0  0
   -6.8833   -4.8272    0.2624 C   0  0  0  0  0
   -8.0952   -4.1846    0.3559 C   0  0  0  0  0
   -8.0566   -2.8103    0.3448 C   0  0  0  0  0
   -6.9113   -2.1003    0.2502 N   0  0  0  0  0
   -9.2463   -4.8574    0.4533 F   0  0  0  0  0
    3.3574    1.2169   -0.0211 H   0  0  0  0  0
    3.3048   -1.2672   -0.0243 H   0  0  0  0  0
    1.1365   -2.4592   -0.0211 H   0  0  0  0  0
    1.2418    2.4907   -0.0193 H   0  0  0  0  0
   -1.2652    2.5015   -0.0173 H   0  0  0  0  0
   -3.3881    1.2173    0.0023 H   0  0  0  0  0
   -6.8263   -5.9105    0.2647 H   0  0  0  0  0
   -8.9692   -2.2280    0.4151 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
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  3  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
M  END

>  <Chemical Name>
Quinoline,2-[2-(5-fluoro-2-pyrimidinyl)ethynyl]-

>  <PubChem CID>
71561381

>  <Formula>
C15H8FN3

>  <Molecular Weight>
249.248000

>  <IUPAC Name>
2-[2-(5-fluoropyrimidin-2-yl)ethynyl]quinoline

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC(=N2)C#CC3=NC=C(C=N3)F

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC(=N2)C#CC3=NC=C(C=N3)F

>  <InChI Std. ID>
InChI=1S/C15H8FN3/c16-12-9-17-15(18-10-12)8-7-13-6-5-11-3-1-2-4-14(11)19-13/h1-6,9-10H

>  <InChI Key>
AKTFBAHRZJFGBC-UHFFFAOYSA-N

