1-bromo-4-iodylbenzene

C6H4BrIO2 — CID 12724449

IUPAC1-bromo-4-iodylbenzene
SMILESO=I(=O)c1ccc(Br)cc1
InChIInChI=1S/C6H4BrIO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKeyBGXXLNPARMNSNI-UHFFFAOYSA-N
MW314.90 g/mol
LogP2.82
Rot. Bonds1

About 1-bromo-4-iodylbenzene

1-bromo-4-iodylbenzene (PubChem CID 12724449) has the molecular formula C6H4BrIO2 and a molecular weight of 314.90 g/mol. Its IUPAC name is 1-bromo-4-iodylbenzene.

Molecular Properties

Compound Name1-bromo-4-iodylbenzene
PubChem CID12724449
Molecular FormulaC6H4BrIO2
Molecular Weight314.90 g/mol
Exact Mass313.84
IUPAC Name1-bromo-4-iodylbenzene
SMILESO=I(=O)c1ccc(Br)cc1
InChIInChI=1S/C6H4BrIO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKeyBGXXLNPARMNSNI-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4-iodylbenzene?
The IUPAC name of 1-bromo-4-iodylbenzene (CID 12724449) is 1-bromo-4-iodylbenzene.
What is the SMILES notation for 1-bromo-4-iodylbenzene?
The canonical SMILES for 1-bromo-4-iodylbenzene is O=I(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-iodylbenzene?
The InChIKey is BGXXLNPARMNSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrIO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H.
What are the key properties of 1-bromo-4-iodylbenzene?
1-bromo-4-iodylbenzene has a molecular weight of 314.90 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodylbenzene is sourced from PubChem (CID 12724449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).