
 6-(phenylamino)nicotinic acid

 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.8544   -0.7404    1.1725 C   0  0  0  0  0
   -1.2671   -1.9080    0.6922 C   0  0  0  0  0
    0.0875   -1.9210    0.3456 C   0  0  0  0  0
    0.8719   -0.7687    0.4695 C   0  0  0  0  0
    0.2605    0.4018    0.9401 C   0  0  0  0  0
   -1.0908    0.4169    1.2951 C   0  0  0  0  0
    2.2416   -0.7305    0.1632 N   0  0  0  0  0
    3.2054   -1.7361    0.0925 C   0  0  0  0  0
    4.2259   -1.5190   -0.7659 N   0  0  0  0  0
    5.2146   -2.4495   -0.8291 C   0  0  0  0  0
    5.2447   -3.6000   -0.0574 C   0  0  0  0  0
    4.1946   -3.8076    0.8318 C   0  0  0  0  0
    3.1693   -2.8640    0.9097 C   0  0  0  0  0
    6.3414   -4.5809   -0.1360 C   0  0  0  0  0
    6.4279   -5.6026    0.5213 O   0  0  0  0  0
    7.2845   -4.2408   -1.0301 O   0  0  0  0  0
   -2.9056   -0.7320    1.4481 H   0  0  0  0  0
   -1.8626   -2.8107    0.5824 H   0  0  0  0  0
    0.5112   -2.8391   -0.0518 H   0  0  0  0  0
    0.8470    1.3103    1.0566 H   0  0  0  0  0
   -1.5421    1.3307    1.6722 H   0  0  0  0  0
    2.4937    0.0167   -0.4759 H   0  0  0  0  0
    6.0026   -2.2184   -1.5406 H   0  0  0  0  0
    4.1742   -4.6851    1.4736 H   0  0  0  0  0
    2.3700   -2.9994    1.6310 H   0  0  0  0  0
    7.9421   -4.9670   -0.9723 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 20  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 24  1  0  0  0
 13 25  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 26  1  0  0  0
M  END

>  <Chemical Name>
6-(phenylamino)nicotinic acid

>  <PubChem CID>
2771812

>  <Formula>
C12H10N2O2

>  <Molecular Weight>
214.224000

>  <IUPAC Name>
6-anilinopyridine-3-carboxylic acid

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)NC2=NC=C(C=C2)C(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)NC2=NC=C(C=C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C12H10N2O2/c15-12(16)9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,(H,13,14)(H,15,16)

>  <InChI Key>
OMGPNSFUSJHLFT-UHFFFAOYSA-N

