2-bromo-1-(3-bromo-5-iodophenyl)ethanone

C8H5Br2IO — CID 118815509

IUPAC2-bromo-1-(3-bromo-5-iodophenyl)ethanone
SMILESO=C(CBr)c1cc(Br)cc(I)c1
InChIInChI=1S/C8H5Br2IO/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3H,4H2
InChIKeySCSPVQNYEXGFFO-UHFFFAOYSA-N
MW403.84 g/mol
LogP3.63
Rot. Bonds2

About 2-bromo-1-(3-bromo-5-iodophenyl)ethanone

2-bromo-1-(3-bromo-5-iodophenyl)ethanone (PubChem CID 118815509) has the molecular formula C8H5Br2IO and a molecular weight of 403.84 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-5-iodophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-5-iodophenyl)ethanone
PubChem CID118815509
Molecular FormulaC8H5Br2IO
Molecular Weight403.84 g/mol
Exact Mass401.78
IUPAC Name2-bromo-1-(3-bromo-5-iodophenyl)ethanone
SMILESO=C(CBr)c1cc(Br)cc(I)c1
InChIInChI=1S/C8H5Br2IO/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3H,4H2
InChIKeySCSPVQNYEXGFFO-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-iodobenzohydrazide
CID 130139017
2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone
CID 137347192
3-bromo-5-iodo-N-methoxybenzamide
CID 90419041
2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone
CID 131349738
2-bromo-1-(3-bromo-2-fluoro-5-iodophenyl)ethanone
CID 171033169
2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone
CID 139225242
(3-bromo-5-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646516
2-bromo-1-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethanone
CID 86631892
2-bromo-1-(4-iodophenyl)ethanone;1-(4-iodophenyl)ethanone
CID 159611000
3-bromo-5-(3-bromopropanoyl)benzoic acid
CID 134625471
3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
CID 170766371
2-bromo-1-(4-iodo-3-methylphenyl)ethanone
CID 91882538

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-5-iodophenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-5-iodophenyl)ethanone (CID 118815509) is 2-bromo-1-(3-bromo-5-iodophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-5-iodophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-5-iodophenyl)ethanone is O=C(CBr)c1cc(Br)cc(I)c1.
What is the InChIKey of 2-bromo-1-(3-bromo-5-iodophenyl)ethanone?
The InChIKey is SCSPVQNYEXGFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2IO/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3H,4H2.
What are the key properties of 2-bromo-1-(3-bromo-5-iodophenyl)ethanone?
2-bromo-1-(3-bromo-5-iodophenyl)ethanone has a molecular weight of 403.84 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-5-iodophenyl)ethanone is sourced from PubChem (CID 118815509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).