
 6-(diethylamino)pyridine-3-carboxylic acid

 28 28  0  0  0  0  0  0  0  0999 V2000
    2.7774   -1.2509   -0.0729 C   0  0  0  0  0
    2.3897    0.1005   -0.6618 C   0  0  0  0  0
    3.0881    1.2057    0.0193 N   0  0  0  0  0
    2.4649    2.5265   -0.1733 C   0  0  0  0  0
    1.4264    2.7686    0.9137 C   0  0  0  0  0
    4.4703    1.2543   -0.2595 C   0  0  0  0  0
    4.9628    0.7101   -1.3939 N   0  0  0  0  0
    6.3070    0.7349   -1.5863 C   0  0  0  0  0
    7.2075    1.2839   -0.6878 C   0  0  0  0  0
    6.6953    1.8550    0.4725 C   0  0  0  0  0
    5.3169    1.8412    0.6858 C   0  0  0  0  0
    8.6627    1.2627   -0.9139 C   0  0  0  0  0
    9.5056    1.7153   -0.1602 O   0  0  0  0  0
    9.0049    0.6703   -2.0706 O   0  0  0  0  0
    2.1676   -2.0456   -0.5160 H   0  0  0  0  0
    2.6223   -1.2652    1.0121 H   0  0  0  0  0
    3.8278   -1.4955   -0.2624 H   0  0  0  0  0
    1.3094    0.2170   -0.5126 H   0  0  0  0  0
    2.5496    0.1172   -1.7473 H   0  0  0  0  0
    1.9920    2.5873   -1.1626 H   0  0  0  0  0
    3.1942    3.3470   -0.1273 H   0  0  0  0  0
    0.6342    2.0148    0.8887 H   0  0  0  0  0
    0.9637    3.7516    0.7835 H   0  0  0  0  0
    1.8884    2.7369    1.9056 H   0  0  0  0  0
    6.6336    0.2748   -2.5140 H   0  0  0  0  0
    7.3558    2.2936    1.2160 H   0  0  0  0  0
    4.9028    2.2550    1.5994 H   0  0  0  0  0
    9.9855    0.7153   -2.0819 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 28  1  0  0  0
M  END

>  <Chemical Name>
6-(diethylamino)pyridine-3-carboxylic acid

>  <PubChem CID>
16772244

>  <Formula>
C10H14N2O2

>  <Molecular Weight>
194.234000

>  <IUPAC Name>
6-(diethylamino)pyridine-3-carboxylic acid

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C10H14N2O2/c1-3-12(4-2)9-6-5-8(7-11-9)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)

>  <InChI Key>
JWNZJVCIBXXKGC-UHFFFAOYSA-N

