5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one

C8H6BrFN2O3S — CID 168900722

IUPAC5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(Br)c2F)S(=O)N1
InChIInChI=1S/C8H6BrFN2O3S/c9-4-1-2-5(13)8(7(4)10)12-3-6(14)11-16(12)15/h1-2,13H,3H2,(H,11,14)
InChIKeyYDGZVLGTRMMXCV-UHFFFAOYSA-N
MW309.12 g/mol
LogP0.81
Rot. Bonds1

About 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one

5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one (PubChem CID 168900722) has the molecular formula C8H6BrFN2O3S and a molecular weight of 309.12 g/mol. Its IUPAC name is 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one
PubChem CID168900722
Molecular FormulaC8H6BrFN2O3S
Molecular Weight309.12 g/mol
Exact Mass307.93
IUPAC Name5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(Br)c2F)S(=O)N1
InChIInChI=1S/C8H6BrFN2O3S/c9-4-1-2-5(13)8(7(4)10)12-3-6(14)11-16(12)15/h1-2,13H,3H2,(H,11,14)
InChIKeyYDGZVLGTRMMXCV-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one (CID 168900722) is 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)ccc(Br)c2F)S(=O)N1.
What is the InChIKey of 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is YDGZVLGTRMMXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2O3S/c9-4-1-2-5(13)8(7(4)10)12-3-6(14)11-16(12)15/h1-2,13H,3H2,(H,11,14).
What are the key properties of 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one?
5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 309.12 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 168900722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).