4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

C24H14Cl2FNO2S — CID 154712774

IUPAC4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2cc(Cl)ccc2Cl)c2c(sc3cc(F)ccc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14Cl2FNO2S/c25-13-6-9-19(26)17(10-13)18-12-21(29)28(15-4-2-1-3-5-15)24-22(18)23(30)16-8-7-14(27)11-20(16)31-24/h1-11,18H,12H2
InChIKeyRQJXTAVCIQHWSN-UHFFFAOYSA-N
MW470.35 g/mol
LogP6.91
Rot. Bonds2

About 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (PubChem CID 154712774) has the molecular formula C24H14Cl2FNO2S and a molecular weight of 470.35 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
PubChem CID154712774
Molecular FormulaC24H14Cl2FNO2S
Molecular Weight470.35 g/mol
Exact Mass469.01
IUPAC Name4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2cc(Cl)ccc2Cl)c2c(sc3cc(F)ccc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14Cl2FNO2S/c25-13-6-9-19(26)17(10-13)18-12-21(29)28(15-4-2-1-3-5-15)24-22(18)23(30)16-8-7-14(27)11-20(16)31-24/h1-11,18H,12H2
InChIKeyRQJXTAVCIQHWSN-UHFFFAOYSA-N
XLogP6.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.35
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The IUPAC name of 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (CID 154712774) is 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The canonical SMILES for 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is O=C1CC(c2cc(Cl)ccc2Cl)c2c(sc3cc(F)ccc3c2=O)N1c1ccccc1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The InChIKey is RQJXTAVCIQHWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2FNO2S/c25-13-6-9-19(26)17(10-13)18-12-21(29)28(15-4-2-1-3-5-15)24-22(18)23(30)16-8-7-14(27)11-20(16)31-24/h1-11,18H,12H2.
What are the key properties of 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione has a molecular weight of 470.35 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-8-fluoro-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is sourced from PubChem (CID 154712774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).