
 5-Fluoronicotinic acid

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.6975    1.2094    0.0726 C   0  0  0  0  0
    0.6975    1.1846    0.0277 C   0  0  0  0  0
    1.3345   -0.0506   -0.0506 C   0  0  0  0  0
    0.6787   -1.2389   -0.0861 N   0  0  0  0  0
   -0.6744   -1.1804   -0.0409 C   0  0  0  0  0
   -1.3853    0.0057    0.0374 C   0  0  0  0  0
   -2.7236   -0.0061    0.0788 F   0  0  0  0  0
    1.5260    2.4022    0.0592 C   0  0  0  0  0
    2.7411    2.4362    0.0227 O   0  0  0  0  0
    0.7904    3.5244    0.1353 O   0  0  0  0  0
   -1.2505    2.1406    0.1339 H   0  0  0  0  0
    2.4197   -0.1267   -0.0882 H   0  0  0  0  0
   -1.1894   -2.1348   -0.0698 H   0  0  0  0  0
    1.4521    4.2487    0.1488 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 14  1  0  0  0
M  END

>  <Chemical Name>
5-Fluoronicotinic acid

>  <PubChem CID>
120232

>  <Formula>
C6H4FNO2

>  <Molecular Weight>
141.101000

>  <IUPAC Name>
5-fluoropyridine-3-carboxylic acid

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=C(C=NC=C1F)C(=O)O

>  <Isomeric SMILES>
C1=C(C=NC=C1F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)

>  <InChI Key>
BXZSBDDOYIWMGC-UHFFFAOYSA-N

