139694
  -OEChem-06052406552D

 14 14  0     0  0  0  0  0  0999 V2000
    4.2690   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
139694

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
160

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHAAUCAAACADBAAQBAAJQAACgACJmYACAAACAAgApCAAYABAIAAAAAQAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-hydroxypyridin-2-imine

> <PUBCHEM_IUPAC_CAS_NAME>
1-hydroxy-2-pyridinimine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-hydroxypyridin-2-imine

> <PUBCHEM_IUPAC_NAME>
1-hydroxypyridin-2-imine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-oxidanylpyridin-2-imine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-hydroxy-2-pyridylidene)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H6N2O/c6-5-3-1-2-4-7(5)8/h1-4,6,8H

> <PUBCHEM_IUPAC_INCHIKEY>
KTPMVZCGIJJWCD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
110.048012819

> <PUBCHEM_MOLECULAR_FORMULA>
C5H6N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
110.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=N)N(C=C1)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=N)N(C=C1)O

> <PUBCHEM_CACTVS_TPSA>
47.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
110.048012819

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
2  4  8
2  5  8
4  6  8
5  7  8
6  8  8
7  8  8

$$$$