
 6-(isopropylamino)nicotinic acid

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.7376    0.6218    2.2685 C   0  0  0  0  0
    3.2173   -0.2992    1.1456 C   0  0  0  0  0
    2.1414   -1.3297    0.8076 C   0  0  0  0  0
    3.5003    0.4783   -0.0662 N   0  0  0  0  0
    4.7862    1.0077   -0.1499 C   0  0  0  0  0
    4.8675    2.3498   -0.2212 N   0  0  0  0  0
    6.1061    2.9006   -0.3142 C   0  0  0  0  0
    7.2798    2.1640   -0.3538 C   0  0  0  0  0
    7.1754    0.7765   -0.3017 C   0  0  0  0  0
    5.9134    0.1928   -0.1976 C   0  0  0  0  0
    8.6087    2.7930   -0.4530 C   0  0  0  0  0
    9.6644    2.2039   -0.5912 O   0  0  0  0  0
    8.5612    4.1316   -0.3477 O   0  0  0  0  0
    3.5022    1.3629    2.5242 H   0  0  0  0  0
    2.5106    0.0469    3.1724 H   0  0  0  0  0
    1.8323    1.1672    1.9784 H   0  0  0  0  0
    4.1011   -0.8478    1.4931 H   0  0  0  0  0
    1.2234   -0.8497    0.4508 H   0  0  0  0  0
    1.8920   -1.9356    1.6851 H   0  0  0  0  0
    2.4895   -2.0057    0.0186 H   0  0  0  0  0
    2.8870    1.2912   -0.1354 H   0  0  0  0  0
    6.1115    3.9861   -0.3601 H   0  0  0  0  0
    8.0627    0.1497   -0.3468 H   0  0  0  0  0
    5.8124   -0.8871   -0.1800 H   0  0  0  0  0
    9.5003    4.4102   -0.4057 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 25  1  0  0  0
M  END

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

>  <PubChem CID>
28400003

>  <Formula>
C9H12N2O2

>  <Molecular Weight>
180.207000

>  <IUPAC Name>
6-(propan-2-ylamino)pyridine-3-carboxylic acid

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NC1=NC=C(C=C1)C(=O)O

>  <Isomeric SMILES>
CC(C)NC1=NC=C(C=C1)C(=O)O

>  <InChI Std. ID>
InChI=1S/C9H12N2O2/c1-6(2)11-8-4-3-7(5-10-8)9(12)13/h3-6H,1-2H3,(H,10,11)(H,12,13)

>  <InChI Key>
ORJYNQYULBKEFU-UHFFFAOYSA-N

