8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

C24H14ClF2NO2S — CID 154711323

IUPAC8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccccc2F)c2c(sc3cc(Cl)c(F)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14ClF2NO2S/c25-17-12-20-16(10-19(17)27)23(30)22-15(14-8-4-5-9-18(14)26)11-21(29)28(24(22)31-20)13-6-2-1-3-7-13/h1-10,12,15H,11H2
InChIKeyAIKAXGKZQRFNIG-UHFFFAOYSA-N
MW453.90 g/mol
LogP6.39
Rot. Bonds2

About 8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (PubChem CID 154711323) has the molecular formula C24H14ClF2NO2S and a molecular weight of 453.90 g/mol. Its IUPAC name is 8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
PubChem CID154711323
Molecular FormulaC24H14ClF2NO2S
Molecular Weight453.90 g/mol
Exact Mass453.04
IUPAC Name8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccccc2F)c2c(sc3cc(Cl)c(F)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14ClF2NO2S/c25-17-12-20-16(10-19(17)27)23(30)22-15(14-8-4-5-9-18(14)26)11-21(29)28(24(22)31-20)13-6-2-1-3-7-13/h1-10,12,15H,11H2
InChIKeyAIKAXGKZQRFNIG-UHFFFAOYSA-N
XLogP6.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.90
LogP ≤ 56.39
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-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The IUPAC name of 8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (CID 154711323) is 8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.
What is the SMILES notation for 8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The canonical SMILES for 8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is O=C1CC(c2ccccc2F)c2c(sc3cc(Cl)c(F)cc3c2=O)N1c1ccccc1.
What is the InChIKey of 8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The InChIKey is AIKAXGKZQRFNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF2NO2S/c25-17-12-20-16(10-19(17)27)23(30)22-15(14-8-4-5-9-18(14)26)11-21(29)28(24(22)31-20)13-6-2-1-3-7-13/h1-10,12,15H,11H2.
What are the key properties of 8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
8-chloro-7-fluoro-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione has a molecular weight of 453.90 g/mol, XLogP of 6.39, 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-4-(2-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is sourced from PubChem (CID 154711323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).