4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one

C9H7BrFNO3 — CID 130146187

IUPAC4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2c(Br)ccc(F)c2O)CO1
InChIInChI=1S/C9H7BrFNO3/c10-4-1-2-5(11)8(13)7(4)6-3-15-9(14)12-6/h1-2,6,13H,3H2,(H,12,14)
InChIKeyQEVBZJFTHXCYQB-UHFFFAOYSA-N
MW276.06 g/mol
LogP2.07
Rot. Bonds1

About 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one

4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 130146187) has the molecular formula C9H7BrFNO3 and a molecular weight of 276.06 g/mol. Its IUPAC name is 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID130146187
Molecular FormulaC9H7BrFNO3
Molecular Weight276.06 g/mol
Exact Mass274.96
IUPAC Name4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2c(Br)ccc(F)c2O)CO1
InChIInChI=1S/C9H7BrFNO3/c10-4-1-2-5(11)8(13)7(4)6-3-15-9(14)12-6/h1-2,6,13H,3H2,(H,12,14)
InChIKeyQEVBZJFTHXCYQB-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.06
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 130146187) is 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one is O=C1NC(c2c(Br)ccc(F)c2O)CO1.
What is the InChIKey of 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is QEVBZJFTHXCYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO3/c10-4-1-2-5(11)8(13)7(4)6-3-15-9(14)12-6/h1-2,6,13H,3H2,(H,12,14).
What are the key properties of 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 276.06 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130146187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).