1,2,5-tribromo-4-iodo-3-methylbenzene

C7H4Br3I — CID 164893725

IUPAC1,2,5-tribromo-4-iodo-3-methylbenzene
SMILESCc1c(Br)c(Br)cc(Br)c1I
InChIInChI=1S/C7H4Br3I/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
InChIKeyRPVQQLUIHKHTJM-UHFFFAOYSA-N
MW454.73 g/mol
LogP4.89
Rot. Bonds

About 1,2,5-tribromo-4-iodo-3-methylbenzene

1,2,5-tribromo-4-iodo-3-methylbenzene (PubChem CID 164893725) has the molecular formula C7H4Br3I and a molecular weight of 454.73 g/mol. Its IUPAC name is 1,2,5-tribromo-4-iodo-3-methylbenzene.

Molecular Properties

Compound Name1,2,5-tribromo-4-iodo-3-methylbenzene
PubChem CID164893725
Molecular FormulaC7H4Br3I
Molecular Weight454.73 g/mol
Exact Mass451.69
IUPAC Name1,2,5-tribromo-4-iodo-3-methylbenzene
SMILESCc1c(Br)c(Br)cc(Br)c1I
InChIInChI=1S/C7H4Br3I/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
InChIKeyRPVQQLUIHKHTJM-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.73
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-iodo-1,3,5-trimethylbenzene
CID 14317172
3,4,6-tribromo-2-methylaniline
CID 164893724
1,2-dibromo-3,6-diiodo-4,5-dimethylbenzene
CID 643341
1,3-dibromo-5-tert-butyl-2-iodobenzene
CID 44891190
3,5-dibromo-4-methylpyridine;3,5-diiodopyridine
CID 160633625
1-bromo-4-iodo-2-methylbenzene
CID 2735574
2,4,6-tribromo-3-methylbenzenethiol
CID 151888094
3,5-dibromo-2,6-dimethylphenol
CID 13108684
1-bromo-5-iodo-2-methyl-3-(trifluoromethyl)benzene
CID 154630994
1,2,4,6,7,9-hexabromodibenzo-p-dioxin
CID 526370
2-bromo-1,3,5-triiodobenzene
CID 71168194
1-bromo-3-chloro-4-iodo-2-methylbenzene
CID 90963698

Frequently Asked Questions

What is the IUPAC name of 1,2,5-tribromo-4-iodo-3-methylbenzene?
The IUPAC name of 1,2,5-tribromo-4-iodo-3-methylbenzene (CID 164893725) is 1,2,5-tribromo-4-iodo-3-methylbenzene.
What is the SMILES notation for 1,2,5-tribromo-4-iodo-3-methylbenzene?
The canonical SMILES for 1,2,5-tribromo-4-iodo-3-methylbenzene is Cc1c(Br)c(Br)cc(Br)c1I.
What is the InChIKey of 1,2,5-tribromo-4-iodo-3-methylbenzene?
The InChIKey is RPVQQLUIHKHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br3I/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3.
What are the key properties of 1,2,5-tribromo-4-iodo-3-methylbenzene?
1,2,5-tribromo-4-iodo-3-methylbenzene has a molecular weight of 454.73 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tribromo-4-iodo-3-methylbenzene is sourced from PubChem (CID 164893725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).