213012
 OpenBabel05082101102D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.4641    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4 12  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
213012

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
190

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjMAAGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgIQCAAACAqBliAwyJJIEgCoASTyTASCgCAnByAAmCGwbtgKJnLB1vHEdQhk0AHY3Qe8SAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-3,6-dichloro-pyridine-2-carboxylic acid

>  <PUBCHEM_IUPAC_CAS_NAME>
4-amino-3,6-dichloro-2-pyridinecarboxylic acid

>  <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-3,6-dichloropyridine-2-carboxylic acid

>  <PUBCHEM_IUPAC_NAME>
4-amino-3,6-dichloropyridine-2-carboxylic acid

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-3,6-bis(chloranyl)pyridine-2-carboxylic acid

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-3,6-dichloro-picolinic acid

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)

>  <PUBCHEM_IUPAC_INCHIKEY>
NIXXQNOQHKNPEJ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.6

>  <PUBCHEM_EXACT_MASS>
205.964983

>  <PUBCHEM_MOLECULAR_FORMULA>
C6H4Cl2N2O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
207.01

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N

>  <PUBCHEM_CACTVS_TPSA>
76.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
205.964983

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  11  8
5  11  8
5  9  8
7  10  8
7  8  8
8  9  8

$$$$
