146674182
  -OEChem-07152006002D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000   -1.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   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   -1.7500    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   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 13  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
146674182

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
185

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAEAAAAAAAAAAAAAAAAAAAAAAsSAAAAAAAAAABgAAAHgBAAAABrQThkgY8hpIIFACgADBnRASCiCAxYiQI2CA/bLgOJmLEsJuHOCjkwBHY6AbwAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-bromo-3-(tetrahydropyran-4-ylmethoxy)pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
4-bromo-3-(4-oxanylmethoxy)pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-bromo-3-(oxan-4-ylmethoxy)pyridine

> <PUBCHEM_IUPAC_NAME>
4-bromo-3-(oxan-4-ylmethoxy)pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-bromanyl-3-(oxan-4-ylmethoxy)pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-bromo-3-(tetrahydropyran-4-ylmethoxy)pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H14BrNO2/c12-10-1-4-13-7-11(10)15-8-9-2-5-14-6-3-9/h1,4,7,9H,2-3,5-6,8H2

> <PUBCHEM_IUPAC_INCHIKEY>
PLHFWBPQYVSKIT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
271.02079

> <PUBCHEM_MOLECULAR_FORMULA>
C11H14BrNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
272.14

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCC1COC2=C(C=CN=C2)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCC1COC2=C(C=CN=C2)Br

> <PUBCHEM_CACTVS_TPSA>
31.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
271.02079

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
11  12  8
11  13  8
12  14  8
14  15  8
4  13  8
4  15  8

$$$$
