2-bromo-1,3-dichloro-5-iodobenzene

C6H2BrCl2I — CID 44891214

IUPAC2-bromo-1,3-dichloro-5-iodobenzene
SMILESClc1cc(I)cc(Cl)c1Br
InChIInChI=1S/C6H2BrCl2I/c7-6-4(8)1-3(10)2-5(6)9/h1-2H
InChIKeyQPPMUOTUUHLYCY-UHFFFAOYSA-N
MW351.80 g/mol
LogP4.36
Rot. Bonds

About 2-bromo-1,3-dichloro-5-iodobenzene

2-bromo-1,3-dichloro-5-iodobenzene (PubChem CID 44891214) has the molecular formula C6H2BrCl2I and a molecular weight of 351.80 g/mol. Its IUPAC name is 2-bromo-1,3-dichloro-5-iodobenzene.

Molecular Properties

Compound Name2-bromo-1,3-dichloro-5-iodobenzene
PubChem CID44891214
Molecular FormulaC6H2BrCl2I
Molecular Weight351.80 g/mol
Exact Mass349.78
IUPAC Name2-bromo-1,3-dichloro-5-iodobenzene
SMILESClc1cc(I)cc(Cl)c1Br
InChIInChI=1S/C6H2BrCl2I/c7-6-4(8)1-3(10)2-5(6)9/h1-2H
InChIKeyQPPMUOTUUHLYCY-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dichloro-5-iodobenzene?
The IUPAC name of 2-bromo-1,3-dichloro-5-iodobenzene (CID 44891214) is 2-bromo-1,3-dichloro-5-iodobenzene.
What is the SMILES notation for 2-bromo-1,3-dichloro-5-iodobenzene?
The canonical SMILES for 2-bromo-1,3-dichloro-5-iodobenzene is Clc1cc(I)cc(Cl)c1Br.
What is the InChIKey of 2-bromo-1,3-dichloro-5-iodobenzene?
The InChIKey is QPPMUOTUUHLYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2I/c7-6-4(8)1-3(10)2-5(6)9/h1-2H.
What are the key properties of 2-bromo-1,3-dichloro-5-iodobenzene?
2-bromo-1,3-dichloro-5-iodobenzene has a molecular weight of 351.80 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dichloro-5-iodobenzene is sourced from PubChem (CID 44891214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).