2-bromo-6-iododibenzofuran

C12H6BrIO — CID 129100797

IUPAC2-bromo-6-iododibenzofuran
SMILESBrc1ccc2oc3c(I)cccc3c2c1
InChIInChI=1S/C12H6BrIO/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h1-6H
InChIKeyWIGVUFYAHDLDJI-UHFFFAOYSA-N
MW372.99 g/mol
LogP4.95
Rot. Bonds

About 2-bromo-6-iododibenzofuran

2-bromo-6-iododibenzofuran (PubChem CID 129100797) has the molecular formula C12H6BrIO and a molecular weight of 372.99 g/mol. Its IUPAC name is 2-bromo-6-iododibenzofuran.

Molecular Properties

Compound Name2-bromo-6-iododibenzofuran
PubChem CID129100797
Molecular FormulaC12H6BrIO
Molecular Weight372.99 g/mol
Exact Mass371.86
IUPAC Name2-bromo-6-iododibenzofuran
SMILESBrc1ccc2oc3c(I)cccc3c2c1
InChIInChI=1S/C12H6BrIO/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h1-6H
InChIKeyWIGVUFYAHDLDJI-UHFFFAOYSA-N
XLogP4.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-6-iododibenzofuran?
The IUPAC name of 2-bromo-6-iododibenzofuran (CID 129100797) is 2-bromo-6-iododibenzofuran.
What is the SMILES notation for 2-bromo-6-iododibenzofuran?
The canonical SMILES for 2-bromo-6-iododibenzofuran is Brc1ccc2oc3c(I)cccc3c2c1.
What is the InChIKey of 2-bromo-6-iododibenzofuran?
The InChIKey is WIGVUFYAHDLDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrIO/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h1-6H.
What are the key properties of 2-bromo-6-iododibenzofuran?
2-bromo-6-iododibenzofuran has a molecular weight of 372.99 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-iododibenzofuran is sourced from PubChem (CID 129100797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).