23017
  -OEChem-05102420522D

 12 12  0     0  0  0  0  0  0999 V2000
    5.4641   -0.6900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23017

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
243

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBiIAAGAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgIQAAAACAKBgAAAAALAAACIACFSUACAAAAAAAAACAAAAEBIAAAAAABAAAAAAAAAgYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,5,6-trichloro-1H-pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,5,6-trichloro-1H-pyridin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,5,6-trichloro-1<I>H</I>-pyridin-2-one

> <PUBCHEM_IUPAC_NAME>
3,5,6-trichloro-1H-pyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,5,6-tris(chloranyl)-1H-pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,5,6-trichloro-2-pyridone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
WCYYAQFQZQEUEN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.2

> <PUBCHEM_EXACT_MASS>
196.920197

> <PUBCHEM_MOLECULAR_FORMULA>
C5H2Cl3NO

> <PUBCHEM_MOLECULAR_WEIGHT>
198.43

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

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

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
196.920197

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
5  6  8
5  8  8
6  7  8
7  9  8
8  10  8
9  10  8

$$$$