1,2,4-tribromo-3-iodobenzene

C6H2Br3I — CID 119023408

IUPAC1,2,4-tribromo-3-iodobenzene
SMILESBrc1ccc(Br)c(I)c1Br
InChIInChI=1S/C6H2Br3I/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyIPVWIGSBBCCQIH-UHFFFAOYSA-N
MW440.70 g/mol
LogP4.58
Rot. Bonds

About 1,2,4-tribromo-3-iodobenzene

1,2,4-tribromo-3-iodobenzene (PubChem CID 119023408) has the molecular formula C6H2Br3I and a molecular weight of 440.70 g/mol. Its IUPAC name is 1,2,4-tribromo-3-iodobenzene.

Molecular Properties

Compound Name1,2,4-tribromo-3-iodobenzene
PubChem CID119023408
Molecular FormulaC6H2Br3I
Molecular Weight440.70 g/mol
Exact Mass437.68
IUPAC Name1,2,4-tribromo-3-iodobenzene
SMILESBrc1ccc(Br)c(I)c1Br
InChIInChI=1S/C6H2Br3I/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyIPVWIGSBBCCQIH-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.70
LogP ≤ 54.58
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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Related Compounds

1-bromo-4-(4-bromophenyl)-2,3-diiodobenzene
CID 175072898
1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene
CID 139754248
1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
1,4-dibromo-2-(difluoromethoxy)-3-iodobenzene
CID 118813499
2,3,4-tribromophenolate
CID 18781512
4-bromo-3-iodo-2-(trifluoromethyl)aniline
CID 118828640
1,2,7-tribromonaphthalene
CID 150191333
5-bromo-4-iodo-2-methoxy-1-benzothiophene
CID 130914513
6-bromo-7-iodo-1H-indazole
CID 171662481
sodium 2,3,4-tribromophenolate
CID 23695920
2-bromo-1,4-difluoro-3-iodobenzene
CID 50998401
6-bromo-7-iodo-1-benzothiophen-3-amine
CID 130985110

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tribromo-3-iodobenzene?
The IUPAC name of 1,2,4-tribromo-3-iodobenzene (CID 119023408) is 1,2,4-tribromo-3-iodobenzene.
What is the SMILES notation for 1,2,4-tribromo-3-iodobenzene?
The canonical SMILES for 1,2,4-tribromo-3-iodobenzene is Brc1ccc(Br)c(I)c1Br.
What is the InChIKey of 1,2,4-tribromo-3-iodobenzene?
The InChIKey is IPVWIGSBBCCQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br3I/c7-3-1-2-4(8)6(10)5(3)9/h1-2H.
What are the key properties of 1,2,4-tribromo-3-iodobenzene?
1,2,4-tribromo-3-iodobenzene has a molecular weight of 440.70 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tribromo-3-iodobenzene is sourced from PubChem (CID 119023408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).