1-bromo-3-chloro-5-iodobenzene

C6H3BrClI — CID 554123

IUPAC1-bromo-3-chloro-5-iodobenzene
SMILESClc1cc(Br)cc(I)c1
InChIInChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKeyRSGRRCWDCXLEHS-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.71
Rot. Bonds

About 1-bromo-3-chloro-5-iodobenzene

1-bromo-3-chloro-5-iodobenzene (PubChem CID 554123) has the molecular formula C6H3BrClI and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-iodobenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-iodobenzene
PubChem CID554123
Molecular FormulaC6H3BrClI
Molecular Weight317.35 g/mol
Exact Mass315.82
IUPAC Name1-bromo-3-chloro-5-iodobenzene
SMILESClc1cc(Br)cc(I)c1
InChIInChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKeyRSGRRCWDCXLEHS-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-3-chloro-5-iodobenzene?
The IUPAC name of 1-bromo-3-chloro-5-iodobenzene (CID 554123) is 1-bromo-3-chloro-5-iodobenzene.
What is the SMILES notation for 1-bromo-3-chloro-5-iodobenzene?
The canonical SMILES for 1-bromo-3-chloro-5-iodobenzene is Clc1cc(Br)cc(I)c1.
What is the InChIKey of 1-bromo-3-chloro-5-iodobenzene?
The InChIKey is RSGRRCWDCXLEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H.
What are the key properties of 1-bromo-3-chloro-5-iodobenzene?
1-bromo-3-chloro-5-iodobenzene has a molecular weight of 317.35 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-iodobenzene is sourced from PubChem (CID 554123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).