1-bromo-4-(131I)iodobenzene

C6H4BrI — CID 134858255

IUPAC1-bromo-4-(131I)iodobenzene
SMILESBrc1ccc([131I])cc1
InChIInChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H/i8+4
InChIKeyUCCUXODGPMAHRL-KPKJHWAZSA-N
MW286.91 g/mol
LogP3.05
Rot. Bonds

About 1-bromo-4-(131I)iodobenzene

1-bromo-4-(131I)iodobenzene (PubChem CID 134858255) has the molecular formula C6H4BrI and a molecular weight of 286.91 g/mol. Its IUPAC name is 1-bromo-4-(131I)iodobenzene.

Molecular Properties

Compound Name1-bromo-4-(131I)iodobenzene
PubChem CID134858255
Molecular FormulaC6H4BrI
Molecular Weight286.91 g/mol
Exact Mass285.86
IUPAC Name1-bromo-4-(131I)iodobenzene
SMILESBrc1ccc([131I])cc1
InChIInChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H/i8+4
InChIKeyUCCUXODGPMAHRL-KPKJHWAZSA-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 ≤ 500286.91
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(131I)iodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(131I)iodobenzene?
The IUPAC name of 1-bromo-4-(131I)iodobenzene (CID 134858255) is 1-bromo-4-(131I)iodobenzene.
What is the SMILES notation for 1-bromo-4-(131I)iodobenzene?
The canonical SMILES for 1-bromo-4-(131I)iodobenzene is Brc1ccc([131I])cc1.
What is the InChIKey of 1-bromo-4-(131I)iodobenzene?
The InChIKey is UCCUXODGPMAHRL-KPKJHWAZSA-N. The full InChI is InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H/i8+4.
What are the key properties of 1-bromo-4-(131I)iodobenzene?
1-bromo-4-(131I)iodobenzene has a molecular weight of 286.91 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-4-(131I)iodobenzene is sourced from PubChem (CID 134858255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).