1-bromo-4-iodo-2-methylbenzene

C7H6BrI — CID 2735574

IUPAC1-bromo-4-iodo-2-methylbenzene
SMILESCc1cc(I)ccc1Br
InChIInChI=1S/C7H6BrI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKeyQSQOGKONVJDRNH-UHFFFAOYSA-N
MW296.93 g/mol
LogP3.36
Rot. Bonds

About 1-bromo-4-iodo-2-methylbenzene

1-bromo-4-iodo-2-methylbenzene (PubChem CID 2735574) has the molecular formula C7H6BrI and a molecular weight of 296.93 g/mol. Its IUPAC name is 1-bromo-4-iodo-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-iodo-2-methylbenzene
PubChem CID2735574
Molecular FormulaC7H6BrI
Molecular Weight296.93 g/mol
Exact Mass295.87
IUPAC Name1-bromo-4-iodo-2-methylbenzene
SMILESCc1cc(I)ccc1Br
InChIInChI=1S/C7H6BrI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKeyQSQOGKONVJDRNH-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.93
LogP ≤ 53.36
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

(2-bromo-5-iodophenyl)boronic acid
CID 74892423
2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene
CID 90253719
(4-bromo-3-methylphenyl)phosphane;ethane
CID 176969000
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
N-[(4-bromo-3-chlorophenyl)methyl]-4-iodo-2-methylaniline
CID 114076429
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
2-bromo-N-ethyl-5-iodoaniline
CID 130498441
2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
2-bromo-5-iodo-N-propan-2-ylaniline
CID 126975603
1-(2-bromo-4-iodophenyl)-2,5-dimethylpyrrole
CID 130160897
1-bromo-4-fluoro-2-methylbenzene;difluoromethane
CID 160708102
2-(1-bromoethyl)-4-iodo-1-methylbenzene
CID 174765860

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodo-2-methylbenzene?
The IUPAC name of 1-bromo-4-iodo-2-methylbenzene (CID 2735574) is 1-bromo-4-iodo-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-iodo-2-methylbenzene?
The canonical SMILES for 1-bromo-4-iodo-2-methylbenzene is Cc1cc(I)ccc1Br.
What is the InChIKey of 1-bromo-4-iodo-2-methylbenzene?
The InChIKey is QSQOGKONVJDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3.
What are the key properties of 1-bromo-4-iodo-2-methylbenzene?
1-bromo-4-iodo-2-methylbenzene has a molecular weight of 296.93 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodo-2-methylbenzene is sourced from PubChem (CID 2735574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).