2-bromo-4-iodo-1,3,5-trimethylbenzene

C9H10BrI — CID 14317172

IUPAC2-bromo-4-iodo-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(I)c(C)c1Br
InChIInChI=1S/C9H10BrI/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3
InChIKeyGXQGWCHUWIPVCZ-UHFFFAOYSA-N
MW324.99 g/mol
LogP3.98
Rot. Bonds

About 2-bromo-4-iodo-1,3,5-trimethylbenzene

2-bromo-4-iodo-1,3,5-trimethylbenzene (PubChem CID 14317172) has the molecular formula C9H10BrI and a molecular weight of 324.99 g/mol. Its IUPAC name is 2-bromo-4-iodo-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-bromo-4-iodo-1,3,5-trimethylbenzene
PubChem CID14317172
Molecular FormulaC9H10BrI
Molecular Weight324.99 g/mol
Exact Mass323.90
IUPAC Name2-bromo-4-iodo-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(I)c(C)c1Br
InChIInChI=1S/C9H10BrI/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3
InChIKeyGXQGWCHUWIPVCZ-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.99
LogP ≤ 53.98
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 2-bromo-4-iodo-1,3,5-trimethylbenzene?
The IUPAC name of 2-bromo-4-iodo-1,3,5-trimethylbenzene (CID 14317172) is 2-bromo-4-iodo-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-bromo-4-iodo-1,3,5-trimethylbenzene?
The canonical SMILES for 2-bromo-4-iodo-1,3,5-trimethylbenzene is Cc1cc(C)c(I)c(C)c1Br.
What is the InChIKey of 2-bromo-4-iodo-1,3,5-trimethylbenzene?
The InChIKey is GXQGWCHUWIPVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrI/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3.
What are the key properties of 2-bromo-4-iodo-1,3,5-trimethylbenzene?
2-bromo-4-iodo-1,3,5-trimethylbenzene has a molecular weight of 324.99 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-iodo-1,3,5-trimethylbenzene is sourced from PubChem (CID 14317172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).