Mrv1572004191603012D          

 11 11  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 11  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010608

> <DATABASE_NAME>
chemdb

> <SMILES>
FC1=NC(F)=C(Cl)C(F)=C1Cl

> <INCHI_IDENTIFIER>
InChI=1S/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9

> <INCHI_KEY>
PKSORSNCSXBXOT-UHFFFAOYSA-N

> <FORMULA>
C5Cl2F3N

> <MOLECULAR_WEIGHT>
201.96

> <EXACT_MASS>
200.9359889

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
12.93753435961462

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5-dichloro-2,4,6-trifluoropyridine

> <ALOGPS_LOGP>
3.14

> <JCHEM_LOGP>
3.179629889333333

> <ALOGPS_LOGS>
-2.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
12.89

> <JCHEM_REFRACTIVITY>
36.1893

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.07e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,5-dichloro-2,4,6-trifluoropyridine

> <JCHEM_VEBER_RULE>
1

> <NAME>
Pyridine, 3,5-dichloro-2,4,6-trifluoro-

> <CAS>
1737-93-5

> <SYNONYMS>
3,5-DICHLORO-2,4,6-TRIFLUOROPYRIDINE

$$$$