71369388
  -OEChem-05132410122D

 27 29  0     0  0  0  0  0  0999 V2000
    5.9674   -2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.7198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    1.6519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749   -2.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    3.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    2.3201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8029    3.5258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71369388

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
281

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAsWAAAAAAAAFgB+AAAHgAAAAAADAjhngY8wLMMGACoAzx3xACCgCA3AiAI2CG4ZNgIIPLA1bGEIQhggADIyYcYicCeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-pyridyl)indolizine-3-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-pyridinyl)-3-indolizinecarboxaldehyde

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-pyridin-2-ylindolizine-3-carbaldehyde

> <PUBCHEM_IUPAC_NAME>
1-pyridin-2-ylindolizine-3-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-pyridin-2-ylindolizine-3-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2-pyridyl)indolizine-3-carbaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10N2O/c17-10-11-9-12(13-5-1-3-7-15-13)14-6-2-4-8-16(11)14/h1-10H

> <PUBCHEM_IUPAC_INCHIKEY>
MPCJKUYLIDOPRH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
222.079312947

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)C2=C3C=CC=CN3C(=C2)C=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)C2=C3C=CC=CN3C(=C2)C=O

> <PUBCHEM_CACTVS_TPSA>
34.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.079312947

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
13  15  8
15  17  8
16  17  8
2  10  8
2  4  8
2  6  8
3  16  8
3  8  8
4  5  8
4  9  8
5  7  8
6  7  8
8  13  8
9  11  8

$$$$