54679224
  -OEChem-04262407532D

 13 13  0     0  0  0  0  0  0999 V2000
    2.0000    0.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54679224

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
207

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiMAAEAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgIQCAAACAbBgAQAAALAAgCIACFWUACAAAAAIAAACIAIAUAIBAAAAAAAAAAAEgAAkQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-4-hydroxy-1H-pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-4-hydroxy-1H-pyridin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-4-hydroxy-1<I>H</I>-pyridin-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-4-hydroxy-1H-pyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-4-oxidanyl-1H-pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-4-hydroxy-2-pyridone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H4ClNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9)

> <PUBCHEM_IUPAC_INCHIKEY>
ZPLQIPFOCGIIHV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.1

> <PUBCHEM_EXACT_MASS>
144.9930561

> <PUBCHEM_MOLECULAR_FORMULA>
C5H4ClNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
145.54

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C(=CNC1=O)Cl)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C(=CNC1=O)Cl)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
144.9930561

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
4  8  8
4  9  8
5  6  8
5  7  8
6  8  8
7  9  8

$$$$