1-bromo-2-iodobenzene

C6H4BrI — CID 11415

IUPAC1-bromo-2-iodobenzene
SMILESBrc1ccccc1I
InChIInChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyOIRHKGBNGGSCGS-UHFFFAOYSA-N
MW282.91 g/mol
LogP3.05
Rot. Bonds

About 1-bromo-2-iodobenzene

1-bromo-2-iodobenzene (PubChem CID 11415) has the molecular formula C6H4BrI and a molecular weight of 282.91 g/mol. Its IUPAC name is 1-bromo-2-iodobenzene.

Molecular Properties

Compound Name1-bromo-2-iodobenzene
PubChem CID11415
Molecular FormulaC6H4BrI
Molecular Weight282.91 g/mol
Exact Mass281.85
IUPAC Name1-bromo-2-iodobenzene
SMILESBrc1ccccc1I
InChIInChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyOIRHKGBNGGSCGS-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.91
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-iodobenzene?
The IUPAC name of 1-bromo-2-iodobenzene (CID 11415) is 1-bromo-2-iodobenzene.
What is the SMILES notation for 1-bromo-2-iodobenzene?
The canonical SMILES for 1-bromo-2-iodobenzene is Brc1ccccc1I.
What is the InChIKey of 1-bromo-2-iodobenzene?
The InChIKey is OIRHKGBNGGSCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H.
What are the key properties of 1-bromo-2-iodobenzene?
1-bromo-2-iodobenzene has a molecular weight of 282.91 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-iodobenzene is sourced from PubChem (CID 11415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).