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

C26H16FNO5S — CID 59240822

IUPAC6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3ccc(F)cc3)c(=O)c2c(O)c1Sc1ccccc1O
InChIInChI=1S/C26H16FNO5S/c27-16-10-12-17(13-11-16)28-18(15-6-2-1-3-7-15)14-20-22(25(28)31)23(30)24(26(32)33-20)34-21-9-5-4-8-19(21)29/h1-14,29-30H
InChIKeyKAWUQHNTYVETGF-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.31
Rot. Bonds4

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

6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59240822) has the molecular formula C26H16FNO5S and a molecular weight of 473.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59240822
Molecular FormulaC26H16FNO5S
Molecular Weight473.48 g/mol
Exact Mass473.07
IUPAC Name6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3ccc(F)cc3)c(=O)c2c(O)c1Sc1ccccc1O
InChIInChI=1S/C26H16FNO5S/c27-16-10-12-17(13-11-16)28-18(15-6-2-1-3-7-15)14-20-22(25(28)31)23(30)24(26(32)33-20)34-21-9-5-4-8-19(21)29/h1-14,29-30H
InChIKeyKAWUQHNTYVETGF-UHFFFAOYSA-N
XLogP5.31
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione (CID 59240822) is 6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione is O=c1oc2cc(-c3ccccc3)n(-c3ccc(F)cc3)c(=O)c2c(O)c1Sc1ccccc1O.
What is the InChIKey of 6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is KAWUQHNTYVETGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16FNO5S/c27-16-10-12-17(13-11-16)28-18(15-6-2-1-3-7-15)14-20-22(25(28)31)23(30)24(26(32)33-20)34-21-9-5-4-8-19(21)29/h1-14,29-30H.
What are the key properties of 6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 473.48 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59240822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).