6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione

C27H15F4NO4S — CID 59241873

IUPAC6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3cccc(F)c3)c(=O)c2c(O)c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C27H15F4NO4S/c28-16-9-6-10-17(13-16)32-19(15-7-2-1-3-8-15)14-20-22(25(32)34)23(33)24(26(35)36-20)37-21-12-5-4-11-18(21)27(29,30)31/h1-14,33H
InChIKeyHNQXUPFPQDPMTQ-UHFFFAOYSA-N
MW525.48 g/mol
LogP6.63
Rot. Bonds4

About 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione

6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59241873) has the molecular formula C27H15F4NO4S and a molecular weight of 525.48 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59241873
Molecular FormulaC27H15F4NO4S
Molecular Weight525.48 g/mol
Exact Mass525.07
IUPAC Name6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3cccc(F)c3)c(=O)c2c(O)c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C27H15F4NO4S/c28-16-9-6-10-17(13-16)32-19(15-7-2-1-3-8-15)14-20-22(25(32)34)23(33)24(26(35)36-20)37-21-12-5-4-11-18(21)27(29,30)31/h1-14,33H
InChIKeyHNQXUPFPQDPMTQ-UHFFFAOYSA-N
XLogP6.63
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.48
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione (CID 59241873) is 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione is O=c1oc2cc(-c3ccccc3)n(-c3cccc(F)c3)c(=O)c2c(O)c1Sc1ccccc1C(F)(F)F.
What is the InChIKey of 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is HNQXUPFPQDPMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F4NO4S/c28-16-9-6-10-17(13-16)32-19(15-7-2-1-3-8-15)14-20-22(25(32)34)23(33)24(26(35)36-20)37-21-12-5-4-11-18(21)27(29,30)31/h1-14,33H.
What are the key properties of 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione?
6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 525.48 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59241873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).