2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one

C15H9BrINO3 — CID 77276401

IUPAC2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one
SMILESO=C1NC2(CO1)c1cc(Br)ccc1Oc1ccc(I)cc12
InChIInChI=1S/C15H9BrINO3/c16-8-1-3-12-10(5-8)15(7-20-14(19)18-15)11-6-9(17)2-4-13(11)21-12/h1-6H,7H2,(H,18,19)
InChIKeyMBZNJCXNLIYISI-UHFFFAOYSA-N
MW458.05 g/mol
LogP4.14
Rot. Bonds

About 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one

2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one (PubChem CID 77276401) has the molecular formula C15H9BrINO3 and a molecular weight of 458.05 g/mol. Its IUPAC name is 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one.

Molecular Properties

Compound Name2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one
PubChem CID77276401
Molecular FormulaC15H9BrINO3
Molecular Weight458.05 g/mol
Exact Mass456.88
IUPAC Name2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one
SMILESO=C1NC2(CO1)c1cc(Br)ccc1Oc1ccc(I)cc12
InChIInChI=1S/C15H9BrINO3/c16-8-1-3-12-10(5-8)15(7-20-14(19)18-15)11-6-9(17)2-4-13(11)21-12/h1-6H,7H2,(H,18,19)
InChIKeyMBZNJCXNLIYISI-UHFFFAOYSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.05
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one?
The IUPAC name of 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one (CID 77276401) is 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one.
What is the SMILES notation for 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one?
The canonical SMILES for 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one is O=C1NC2(CO1)c1cc(Br)ccc1Oc1ccc(I)cc12.
What is the InChIKey of 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one?
The InChIKey is MBZNJCXNLIYISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrINO3/c16-8-1-3-12-10(5-8)15(7-20-14(19)18-15)11-6-9(17)2-4-13(11)21-12/h1-6H,7H2,(H,18,19).
What are the key properties of 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one?
2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one has a molecular weight of 458.05 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-7'-iodospiro[1,3-oxazolidine-4,9'-xanthene]-2-one is sourced from PubChem (CID 77276401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).