4-bromo-2-(iodomethyl)benzoyl iodide

C8H5BrI2O — CID 139307710

IUPAC4-bromo-2-(iodomethyl)benzoyl iodide
SMILESO=C(I)c1ccc(Br)cc1CI
InChIInChI=1S/C8H5BrI2O/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4H2
InChIKeyXLFOWSVVBFTTLA-UHFFFAOYSA-N
MW450.84 g/mol
LogP3.96
Rot. Bonds2

About 4-bromo-2-(iodomethyl)benzoyl iodide

4-bromo-2-(iodomethyl)benzoyl iodide (PubChem CID 139307710) has the molecular formula C8H5BrI2O and a molecular weight of 450.84 g/mol. Its IUPAC name is 4-bromo-2-(iodomethyl)benzoyl iodide.

Molecular Properties

Compound Name4-bromo-2-(iodomethyl)benzoyl iodide
PubChem CID139307710
Molecular FormulaC8H5BrI2O
Molecular Weight450.84 g/mol
Exact Mass449.76
IUPAC Name4-bromo-2-(iodomethyl)benzoyl iodide
SMILESO=C(I)c1ccc(Br)cc1CI
InChIInChI=1S/C8H5BrI2O/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4H2
InChIKeyXLFOWSVVBFTTLA-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.84
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(fluoromethyl)benzamide
CID 91008252
1-(4-bromo-2-ethylphenyl)hexane-1,3,4-trione
CID 153296084
4-bromo-2-(fluoromethyl)benzohydrazide
CID 145171796
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243
2-bromo-1-(4-bromo-2-hydroxyphenyl)ethanone
CID 91882526
4-bromo-2-(2-methylpropyl)benzoic acid
CID 24824351
2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone
CID 114019079
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
5-bromo-2-(2-bromoacetyl)benzoic acid
CID 91882524
1-(2-amino-4-bromophenyl)-2-hydroxyethanone
CID 155640752
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(iodomethyl)benzoyl iodide?
The IUPAC name of 4-bromo-2-(iodomethyl)benzoyl iodide (CID 139307710) is 4-bromo-2-(iodomethyl)benzoyl iodide.
What is the SMILES notation for 4-bromo-2-(iodomethyl)benzoyl iodide?
The canonical SMILES for 4-bromo-2-(iodomethyl)benzoyl iodide is O=C(I)c1ccc(Br)cc1CI.
What is the InChIKey of 4-bromo-2-(iodomethyl)benzoyl iodide?
The InChIKey is XLFOWSVVBFTTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrI2O/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4H2.
What are the key properties of 4-bromo-2-(iodomethyl)benzoyl iodide?
4-bromo-2-(iodomethyl)benzoyl iodide has a molecular weight of 450.84 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(iodomethyl)benzoyl iodide is sourced from PubChem (CID 139307710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).