3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione

C26H15BrFNO4S — CID 59240806

IUPAC3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3cccc(F)c3)c(=O)c2c(O)c1Sc1ccccc1Br
InChIInChI=1S/C26H15BrFNO4S/c27-18-11-4-5-12-21(18)34-24-23(30)22-20(33-26(24)32)14-19(15-7-2-1-3-8-15)29(25(22)31)17-10-6-9-16(28)13-17/h1-14,30H
InChIKeyVQWHJKOPHTUPJF-UHFFFAOYSA-N
MW536.38 g/mol
LogP6.37
Rot. Bonds4

About 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione

3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59240806) has the molecular formula C26H15BrFNO4S and a molecular weight of 536.38 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59240806
Molecular FormulaC26H15BrFNO4S
Molecular Weight536.38 g/mol
Exact Mass534.99
IUPAC Name3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3cccc(F)c3)c(=O)c2c(O)c1Sc1ccccc1Br
InChIInChI=1S/C26H15BrFNO4S/c27-18-11-4-5-12-21(18)34-24-23(30)22-20(33-26(24)32)14-19(15-7-2-1-3-8-15)29(25(22)31)17-10-6-9-16(28)13-17/h1-14,30H
InChIKeyVQWHJKOPHTUPJF-UHFFFAOYSA-N
XLogP6.37
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.38
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione with MolForge

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Related Compounds

4-Fluoro-15-(3-fluorophenyl)sulfanyl-16-hydroxy-19-phenyl-13-oxa-19-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),15-hexaene-14,18-dione
CID 59240768
6-(4-Fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
CID 59240777
6-(3-Fluorophenyl)-4-hydroxy-8-methyl-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
CID 59240819
4-Hydroxy-8-methyl-6,7-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
CID 59240836
6-(4-Fluorophenyl)-3-(4-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59240849
3-(3-Bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59240864
6-(2-Bromophenyl)sulfanyl-7-hydroxy-17,17-dimethyl-14-(trifluoromethyl)-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
CID 59240892
5-(3-Fluorophenyl)sulfanyl-6-hydroxy-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11,13,15-hexaene-4,8-dione
CID 59240903
6-(3-Fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59240912
3-(2-Bromophenyl)sulfanyl-7-(4-fluorophenyl)-4-hydroxy-6-(4-methoxyphenyl)pyrano[3,2-c]pyridine-2,5-dione
CID 59240924
3-(2-Bromophenyl)sulfanyl-6-[(3-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
CID 59240930
14-Bromo-6-(2-fluorophenyl)sulfanyl-7-hydroxyspiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240940

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione (CID 59240806) is 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione is O=c1oc2cc(-c3ccccc3)n(-c3cccc(F)c3)c(=O)c2c(O)c1Sc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is VQWHJKOPHTUPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15BrFNO4S/c27-18-11-4-5-12-21(18)34-24-23(30)22-20(33-26(24)32)14-19(15-7-2-1-3-8-15)29(25(22)31)17-10-6-9-16(28)13-17/h1-14,30H.
What are the key properties of 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 536.38 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59240806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).