71400775
  -OEChem-04232416512D

 24 24  0     1  0  0  0  0  0999 V2000
    2.0000   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2120   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  2  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
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  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  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71400775

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
158

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAIAAAAADArBFgQ+gJIIEACgATRnRACCgCAxAiAI2CA4ZpgIIOLBkZHEIAhggADIyAcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(1-chloro-1-methyl-but-3-enyl)pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-chloropent-4-en-2-yl)pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-chloropent-4-en-2-yl)pyridine

> <PUBCHEM_IUPAC_NAME>
2-(2-chloropent-4-en-2-yl)pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-chloranylpent-4-en-2-yl)pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(1-chloro-1-methyl-but-3-enyl)pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H12ClN/c1-3-7-10(2,11)9-6-4-5-8-12-9/h3-6,8H,1,7H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
WLWKBWZGDVYVMD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
181.0658271

> <PUBCHEM_MOLECULAR_FORMULA>
C10H12ClN

> <PUBCHEM_MOLECULAR_WEIGHT>
181.66

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC=C)(C1=CC=CC=N1)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC=C)(C1=CC=CC=N1)Cl

> <PUBCHEM_CACTVS_TPSA>
12.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
181.0658271

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
3  1  3
10  11  8
2  10  8
2  5  8
5  7  8
7  9  8
9  11  8

$$$$