71378749
  -OEChem-05082408172D

 25 25  0     0  0  0  0  0  0999 V2000
    2.8660   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.9820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.4821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  2  0  0  0  0
  4 11  3  0  0  0  0
  5 12  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71378749

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
311

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAQAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHQIAAAAADgLBGiQ8gJIIEACwBjBnRACCgCAxByAI2CA4ZpgIoOLBk5GEIAhggADIyA8QgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(6-chloro-3-pyridyl)methyl]-2-(2-fluoroethyl)propanedinitrile

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(6-chloro-3-pyridinyl)methyl]-2-(2-fluoroethyl)propanedinitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(6-chloropyridin-3-yl)methyl]-2-(2-fluoroethyl)propanedinitrile

> <PUBCHEM_IUPAC_NAME>
2-[(6-chloropyridin-3-yl)methyl]-2-(2-fluoroethyl)propanedinitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(6-chloranylpyridin-3-yl)methyl]-2-(2-fluoranylethyl)propanedinitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(6-chloro-3-pyridyl)methyl]-2-(2-fluoroethyl)malononitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H9ClFN3/c12-10-2-1-9(6-16-10)5-11(7-14,8-15)3-4-13/h1-2,6H,3-5H2

> <PUBCHEM_IUPAC_INCHIKEY>
HSRBGQUXKUZLIW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
237.0469032

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9ClFN3

> <PUBCHEM_MOLECULAR_WEIGHT>
237.66

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=NC=C1CC(CCF)(C#N)C#N)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=NC=C1CC(CCF)(C#N)C#N)Cl

> <PUBCHEM_CACTVS_TPSA>
60.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
237.0469032

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
13  15  8
15  16  8
3  14  8
3  16  8
9  13  8
9  14  8

$$$$