70680603
  -OEChem-06191306532D

 31 32  0     0  0  0  0  0  0999 V2000
    7.1962   -2.1550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 30  1  0  0  0  0
  4 20  2  0  0  0  0
  5 21  1  0  0  0  0
  5 31  1  0  0  0  0
  6 21  2  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70680603

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
392

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOQAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHwAACAAADAzhng48jpIIFgCoAzT3TAKCiCA1IiAI2CF+bNgNJvrEtZ+GeajmwBHL+ce42fOeAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-[3-(carboxymethoxy)-5-fluoro-phenyl]pyridine-3-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
6-[3-(carboxymethoxy)-5-fluorophenyl]-3-pyridinecarboxylic acid

> <PUBCHEM_IUPAC_NAME>
6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[3-fluoranyl-5-(2-hydroxy-2-oxoethyloxy)phenyl]pyridine-3-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-[3-(carboxymethoxy)-5-fluoro-phenyl]nicotinic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10FNO5/c15-10-3-9(4-11(5-10)21-7-13(17)18)12-2-1-8(6-16-12)14(19)20/h1-6H,7H2,(H,17,18)(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
JGGHMGTXTAKFQV-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
291.054301

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10FNO5

> <PUBCHEM_MOLECULAR_WEIGHT>
291.231303

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=NC=C1C(=O)O)C2=CC(=CC(=C2)F)OCC(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=NC=C1C(=O)O)C2=CC(=CC(=C2)F)OCC(=O)O

> <PUBCHEM_CACTVS_TPSA>
96.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.054301

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  11  8
11  13  8
12  15  8
13  15  8
14  16  8
16  17  8
17  18  8
7  18  8
7  9  8
8  10  8
8  12  8
9  14  8

$$$$