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

C6H2BrCl2I — CID 118797013

IUPAC1-bromo-2,5-dichloro-3-iodobenzene
SMILESClc1cc(Br)c(Cl)c(I)c1
InChIInChI=1S/C6H2BrCl2I/c7-4-1-3(8)2-5(10)6(4)9/h1-2H
InChIKeyMOJKXTVPBWPUNS-UHFFFAOYSA-N
MW351.80 g/mol
LogP4.36
Rot. Bonds

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

1-bromo-2,5-dichloro-3-iodobenzene (PubChem CID 118797013) has the molecular formula C6H2BrCl2I and a molecular weight of 351.80 g/mol. Its IUPAC name is 1-bromo-2,5-dichloro-3-iodobenzene.

Molecular Properties

Compound Name1-bromo-2,5-dichloro-3-iodobenzene
PubChem CID118797013
Molecular FormulaC6H2BrCl2I
Molecular Weight351.80 g/mol
Exact Mass349.78
IUPAC Name1-bromo-2,5-dichloro-3-iodobenzene
SMILESClc1cc(Br)c(Cl)c(I)c1
InChIInChI=1S/C6H2BrCl2I/c7-4-1-3(8)2-5(10)6(4)9/h1-2H
InChIKeyMOJKXTVPBWPUNS-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 1-bromo-2,5-dichloro-3-iodobenzene?
The IUPAC name of 1-bromo-2,5-dichloro-3-iodobenzene (CID 118797013) is 1-bromo-2,5-dichloro-3-iodobenzene.
What is the SMILES notation for 1-bromo-2,5-dichloro-3-iodobenzene?
The canonical SMILES for 1-bromo-2,5-dichloro-3-iodobenzene is Clc1cc(Br)c(Cl)c(I)c1.
What is the InChIKey of 1-bromo-2,5-dichloro-3-iodobenzene?
The InChIKey is MOJKXTVPBWPUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2I/c7-4-1-3(8)2-5(10)6(4)9/h1-2H.
What are the key properties of 1-bromo-2,5-dichloro-3-iodobenzene?
1-bromo-2,5-dichloro-3-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 1-bromo-2,5-dichloro-3-iodobenzene is sourced from PubChem (CID 118797013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).