45788682
  -OEChem-05072408302D

 20 20  0     0  0  0  0  0  0999 V2000
    3.6200    2.7611    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    0.2611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621   -2.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    1.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2400   -1.2389    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.1742   -2.7611    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5446   -1.9665    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.3794   -2.3906    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2389    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.6189    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.4080   -1.8215    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.2170   -0.0489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170    1.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230    1.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  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
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
M  ISO  7  11   2  12   2  13   2  14   2  15   2  16   2  17   2
M  END
> <PUBCHEM_COMPOUND_CID>
45788682

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
103

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAIAAAAADQrBFiQ+gJIIEACgATRnRACCgCAxByAI2CA4ZpgIIOLBk5HEIAhggADIyAcQgEAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-2-[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine

> <PUBCHEM_IUPAC_NAME>
5-chloro-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-2-[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H10ClN/c1-6(2)8-4-3-7(9)5-10-8/h3-6H,1-2H3/i1D3,2D3,6D

> <PUBCHEM_IUPAC_INCHIKEY>
ZMIHLLNNQVJXDJ-NWOXSKRJSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
162.0941142

> <PUBCHEM_MOLECULAR_FORMULA>
C8H10ClN

> <PUBCHEM_MOLECULAR_WEIGHT>
162.67

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=NC=C(C=C1)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
[2H]C([2H])([2H])C([2H])(C1=NC=C(C=C1)Cl)C([2H])([2H])[2H]

> <PUBCHEM_CACTVS_TPSA>
12.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
162.0941142

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
7

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  4  8
2  9  8
4  7  8
7  8  8
8  10  8
9  10  8

$$$$