15965
  -OEChem-04162407122D

 16 16  0     0  0  0  0  0  0999 V2000
    2.8660    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  5 13  2  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15965

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
216

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjMAAGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAADgIQCAAACAoBliAAyJJIEgCoAQTwTASCgCAnBCAAmmGgTtgKJnLB1vHEdQhkwAHY3Qe8SAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-3,5,6-trichloro-pyridine-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-3,5,6-trichloropyridine-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
4-amino-3,5,6-trichloropyridine-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-3,5,6-trichloro-picolinic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
NQQVFXUMIDALNH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
239.926010

> <PUBCHEM_MOLECULAR_FORMULA>
C6H3Cl3N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
241.5

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

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

> <PUBCHEM_CACTVS_TPSA>
76.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
239.926010

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
11  12  8
6  10  8
6  12  8
8  11  8
8  9  8
9  10  8

$$$$