71378321
  -OEChem-05092421442D

 25 26  0     0  0  0  0  0  0999 V2000
    2.0000   -1.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.4510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  2  0  0  0  0
  5 17  1  0  0  0  0
  6 19  3  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71378321

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
351

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzAcAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHQAAAAAADAiBHhgwgJIIEACwByRiRACigCAhAiAImCAwZJgIoOLAkZGEIAhggADIyA8QgMAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
3-fluoro-6-[4-(trifluoromethyl)phenyl]-2-pyridinecarbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile

> <PUBCHEM_IUPAC_NAME>
3-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-fluoranyl-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-fluoro-6-[4-(trifluoromethyl)phenyl]picolinonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H6F4N2/c14-10-5-6-11(19-12(10)7-18)8-1-3-9(4-2-8)13(15,16)17/h1-6H

> <PUBCHEM_IUPAC_INCHIKEY>
YUZUAZZJOOZKEF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
266.04671085

> <PUBCHEM_MOLECULAR_FORMULA>
C13H6F4N2

> <PUBCHEM_MOLECULAR_WEIGHT>
266.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=NC(=C(C=C2)F)C#N)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=NC(=C(C=C2)F)C#N)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
36.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.04671085

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
10  12  8
11  13  8
14  16  8
16  18  8
17  18  8
5  17  8
5  9  8
7  10  8
7  11  8
8  12  8
8  13  8
9  14  8

$$$$