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

C24H14ClF2NO2S — CID 154712612

IUPAC8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2cccc(F)c2)c2c(sc3cc(Cl)c(F)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14ClF2NO2S/c25-18-12-20-17(10-19(18)27)23(30)22-16(13-5-4-6-14(26)9-13)11-21(29)28(24(22)31-20)15-7-2-1-3-8-15/h1-10,12,16H,11H2
InChIKeyFELDIQZEFDTXSO-UHFFFAOYSA-N
MW453.90 g/mol
LogP6.39
Rot. Bonds2

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

8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (PubChem CID 154712612) has the molecular formula C24H14ClF2NO2S and a molecular weight of 453.90 g/mol. Its IUPAC name is 8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
PubChem CID154712612
Molecular FormulaC24H14ClF2NO2S
Molecular Weight453.90 g/mol
Exact Mass453.04
IUPAC Name8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2cccc(F)c2)c2c(sc3cc(Cl)c(F)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14ClF2NO2S/c25-18-12-20-17(10-19(18)27)23(30)22-16(13-5-4-6-14(26)9-13)11-21(29)28(24(22)31-20)15-7-2-1-3-8-15/h1-10,12,16H,11H2
InChIKeyFELDIQZEFDTXSO-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

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

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Related Compounds

CID 122192943
CID 122192943
CID 24812963
CID 24812963
CID 25213820
CID 25213820
CID 154711323
CID 154711323
CID 154711324
CID 154711324
CID 154711327
CID 154711327
CID 154712774
CID 154712774
CID 139074490
CID 139074490
CID 154711320
CID 154711320
CID 154711322
CID 154711322
CID 154712606
CID 154712606
CID 154712607
CID 154712607

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The IUPAC name of 8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (CID 154712612) is 8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.
What is the SMILES notation for 8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The canonical SMILES for 8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is O=C1CC(c2cccc(F)c2)c2c(sc3cc(Cl)c(F)cc3c2=O)N1c1ccccc1.
What is the InChIKey of 8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The InChIKey is FELDIQZEFDTXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF2NO2S/c25-18-12-20-17(10-19(18)27)23(30)22-16(13-5-4-6-14(26)9-13)11-21(29)28(24(22)31-20)15-7-2-1-3-8-15/h1-10,12,16H,11H2.
What are the key properties of 8-chloro-7-fluoro-4-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
8-chloro-7-fluoro-4-(3-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-(3-fluorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is sourced from PubChem (CID 154712612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).