5-bromo-2-iodobenzoyl chloride

C7H3BrClIO — CID 4568112

IUPAC5-bromo-2-iodobenzoyl chloride
SMILESO=C(Cl)c1cc(Br)ccc1I
InChIInChI=1S/C7H3BrClIO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKeyIAEYMICEYDVOLM-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.43
Rot. Bonds1

About 5-bromo-2-iodobenzoyl chloride

5-bromo-2-iodobenzoyl chloride (PubChem CID 4568112) has the molecular formula C7H3BrClIO and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-bromo-2-iodobenzoyl chloride.

Molecular Properties

Compound Name5-bromo-2-iodobenzoyl chloride
PubChem CID4568112
Molecular FormulaC7H3BrClIO
Molecular Weight345.36 g/mol
Exact Mass343.81
IUPAC Name5-bromo-2-iodobenzoyl chloride
SMILESO=C(Cl)c1cc(Br)ccc1I
InChIInChI=1S/C7H3BrClIO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKeyIAEYMICEYDVOLM-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodobenzoyl chloride?
The IUPAC name of 5-bromo-2-iodobenzoyl chloride (CID 4568112) is 5-bromo-2-iodobenzoyl chloride.
What is the SMILES notation for 5-bromo-2-iodobenzoyl chloride?
The canonical SMILES for 5-bromo-2-iodobenzoyl chloride is O=C(Cl)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodobenzoyl chloride?
The InChIKey is IAEYMICEYDVOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClIO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H.
What are the key properties of 5-bromo-2-iodobenzoyl chloride?
5-bromo-2-iodobenzoyl chloride has a molecular weight of 345.36 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodobenzoyl chloride is sourced from PubChem (CID 4568112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).