71562429
  -OEChem-05102404072D

 28 29  0     0  0  0  0  0  0999 V2000
    5.4641   -3.4400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 17  2  0  0  0  0
  5  7  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  2  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71562429

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
300

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMQAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHwAACAAADAzBng4+jpIIFgCoAzT3TACCgCA1IiAI2CE+bNgIJvrCtZuEcYhmwBHI+ce42fOeAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 6-(3-fluoro-5-hydroxy-phenyl)pyridine-3-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
6-(3-fluoro-5-hydroxyphenyl)-3-pyridinecarboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 6-(3-fluoro-5-hydroxyphenyl)pyridine-3-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl 6-(3-fluoro-5-hydroxyphenyl)pyridine-3-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 6-(3-fluoranyl-5-oxidanyl-phenyl)pyridine-3-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-(3-fluoro-5-hydroxy-phenyl)nicotinic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10FNO3/c1-18-13(17)8-2-3-12(15-7-8)9-4-10(14)6-11(16)5-9/h2-7,16H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
BVBRCZYDFQWYPT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
247.06447134

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10FNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
247.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC(=O)C1=CN=C(C=C1)C2=CC(=CC(=C2)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC(=O)C1=CN=C(C=C1)C2=CC(=CC(=C2)F)O

> <PUBCHEM_CACTVS_TPSA>
59.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.06447134

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  14  8
11  12  8
11  15  8
13  16  8
14  16  8
5  15  8
5  7  8
6  10  8
6  8  8
7  9  8
8  13  8
9  12  8

$$$$