1-bromo-2-iodobenzene;1-bromo-4-iodobenzene

C12H8Br2I2 — CID 159057639

IUPAC1-bromo-2-iodobenzene;1-bromo-4-iodobenzene
SMILESBrc1ccc(I)cc1.Brc1ccccc1I
InChIInChI=1S/2C6H4BrI/c7-5-1-3-6(8)4-2-5;7-5-3-1-2-4-6(5)8/h2*1-4H
InChIKeyJYBFPJXEPQVHSP-UHFFFAOYSA-N
MW565.81 g/mol
LogP6.11
Rot. Bonds

About 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene

1-bromo-2-iodobenzene;1-bromo-4-iodobenzene (PubChem CID 159057639) has the molecular formula C12H8Br2I2 and a molecular weight of 565.81 g/mol. Its IUPAC name is 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene.

Molecular Properties

Compound Name1-bromo-2-iodobenzene;1-bromo-4-iodobenzene
PubChem CID159057639
Molecular FormulaC12H8Br2I2
Molecular Weight565.81 g/mol
Exact Mass563.71
IUPAC Name1-bromo-2-iodobenzene;1-bromo-4-iodobenzene
SMILESBrc1ccc(I)cc1.Brc1ccccc1I
InChIInChI=1S/2C6H4BrI/c7-5-1-3-6(8)4-2-5;7-5-3-1-2-4-6(5)8/h2*1-4H
InChIKeyJYBFPJXEPQVHSP-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.81
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

azane;1-bromo-2-iodobenzene
CID 139491171
1-bromo-2-iodobenzene;molecular nitrogen
CID 155706234
CID 173172073
CID 173172073
1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene
CID 162245084
1-bromo-4-iodobenzene;formyl chloride
CID 161442464
1-bromo-2-[2-(2-iodophenyl)phenyl]benzene
CID 172548371
aniline;4-bromo-N-(4-bromophenyl)-N-phenylaniline;1-bromo-4-iodobenzene
CID 160589758
N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine
CID 65476357
(4-bromophenyl)-(2-iodophenyl)diazene
CID 142736190
1-bromo-4-iodobenzene;1-bromo-4-(2-phenylethynyl)benzene;carbanide;ethynylbenzene
CID 159508777
bromo(413C)cyclohexatriene
CID 66995401
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene?
The IUPAC name of 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene (CID 159057639) is 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene.
What is the SMILES notation for 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene?
The canonical SMILES for 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene is Brc1ccc(I)cc1.Brc1ccccc1I.
What is the InChIKey of 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene?
The InChIKey is JYBFPJXEPQVHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4BrI/c7-5-1-3-6(8)4-2-5;7-5-3-1-2-4-6(5)8/h2*1-4H.
What are the key properties of 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene?
1-bromo-2-iodobenzene;1-bromo-4-iodobenzene has a molecular weight of 565.81 g/mol, XLogP of 6.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-iodobenzene;1-bromo-4-iodobenzene is sourced from PubChem (CID 159057639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).