8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

C24H15ClFNO2S — CID 154711324

IUPAC8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccccc2)c2c(sc3cc(Cl)c(F)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H15ClFNO2S/c25-18-13-20-17(11-19(18)26)23(29)22-16(14-7-3-1-4-8-14)12-21(28)27(24(22)30-20)15-9-5-2-6-10-15/h1-11,13,16H,12H2
InChIKeyZRYCTRPBSIQWFF-UHFFFAOYSA-N
MW435.91 g/mol
LogP6.25
Rot. Bonds2

About 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (PubChem CID 154711324) has the molecular formula C24H15ClFNO2S and a molecular weight of 435.91 g/mol. Its IUPAC name is 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
PubChem CID154711324
Molecular FormulaC24H15ClFNO2S
Molecular Weight435.91 g/mol
Exact Mass435.05
IUPAC Name8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccccc2)c2c(sc3cc(Cl)c(F)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H15ClFNO2S/c25-18-13-20-17(11-19(18)26)23(29)22-16(14-7-3-1-4-8-14)12-21(28)27(24(22)30-20)15-9-5-2-6-10-15/h1-11,13,16H,12H2
InChIKeyZRYCTRPBSIQWFF-UHFFFAOYSA-N
XLogP6.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The IUPAC name of 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (CID 154711324) is 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.
What is the SMILES notation for 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The canonical SMILES for 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is O=C1CC(c2ccccc2)c2c(sc3cc(Cl)c(F)cc3c2=O)N1c1ccccc1.
What is the InChIKey of 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The InChIKey is ZRYCTRPBSIQWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFNO2S/c25-18-13-20-17(11-19(18)26)23(29)22-16(14-7-3-1-4-8-14)12-21(28)27(24(22)30-20)15-9-5-2-6-10-15/h1-11,13,16H,12H2.
What are the key properties of 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione has a molecular weight of 435.91 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is sourced from PubChem (CID 154711324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).