6603514
  -OEChem-04242420092D

 30 31  0     0  0  0  0  0  0999 V2000
    3.6424    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    3.3120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6648    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    4.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1648    3.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1648    4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648    3.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648    4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2738    5.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.7367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.4967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.3067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.6536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.5798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548    2.7138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548    5.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4748    2.7138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4748    5.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2848    4.1167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6603514

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
235

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAEAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHAAAAAAADAjBHwQ/sJ8MGACgAzZnZACCgC0xEqAJ2CA4dJiIaOLAmZGUIAhogALIyCcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methyl-2-phenyl-imidazo[1,2-a]pyridine;hydrobromide

> <PUBCHEM_IUPAC_CAS_NAME>
6-methyl-2-phenylimidazo[1,2-a]pyridine;hydrobromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-methyl-2-phenylimidazo[1,2-a]pyridine;hydrobromide

> <PUBCHEM_IUPAC_NAME>
6-methyl-2-phenylimidazo[1,2-a]pyridine;hydrobromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methyl-2-phenyl-imidazo[1,2-a]pyridine;hydrobromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-methyl-2-phenyl-imidazo[1,2-a]pyridine;hydrobromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12N2.BrH/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12;/h2-10H,1H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
WLMOPLUUCOSEOE-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
288.02621

> <PUBCHEM_MOLECULAR_FORMULA>
C14H13BrN2

> <PUBCHEM_MOLECULAR_WEIGHT>
289.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C=C(N=C2C=C1)C3=CC=CC=C3.Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C=C(N=C2C=C1)C3=CC=CC=C3.Br

> <PUBCHEM_CACTVS_TPSA>
17.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.02621

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
13  15  8
14  16  8
15  17  8
16  17  8
2  4  8
2  6  8
2  7  8
3  4  8
3  5  8
4  10  8
5  6  8
7  8  8
8  11  8
9  13  8
9  14  8

$$$$