
 5-Hydroxynicotinic acid

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.7230    1.2080    0.0550 C   0  0  0  0  0
    0.6747    1.1917    0.0335 C   0  0  0  0  0
    1.3222   -0.0367   -0.0319 C   0  0  0  0  0
    0.6758   -1.2282   -0.0764 N   0  0  0  0  0
   -0.6772   -1.1810   -0.0540 C   0  0  0  0  0
   -1.4046   -0.0017    0.0103 C   0  0  0  0  0
   -2.7649   -0.0589    0.0280 O   0  0  0  0  0
    1.4947    2.4159    0.0768 C   0  0  0  0  0
    2.7090    2.4610    0.0607 O   0  0  0  0  0
    0.7504    3.5343    0.1387 O   0  0  0  0  0
   -1.2597    2.1495    0.1058 H   0  0  0  0  0
    2.4076   -0.1058   -0.0512 H   0  0  0  0  0
   -1.1783   -2.1439   -0.0903 H   0  0  0  0  0
   -3.1226    0.8439    0.0743 H   0  0  0  0  0
    1.4120    4.2587    0.1617 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
  7 14  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 15  1  0  0  0
M  END

>  <Chemical Name>
5-Hydroxynicotinic acid

>  <PubChem CID>
34037

>  <Formula>
C6H5NO3

>  <Molecular Weight>
139.110000

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

>  <XlogP>
0.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=C(C=NC=C1O)C(=O)O

>  <Isomeric SMILES>
C1=C(C=NC=C1O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)

>  <InChI Key>
ATTDCVLRGFEHEO-UHFFFAOYSA-N

