1,5-dibromo-3-chloro-2-iodobenzene

C6H2Br2ClI — CID 44557940

IUPAC1,5-dibromo-3-chloro-2-iodobenzene
SMILESClc1cc(Br)cc(Br)c1I
InChIInChI=1S/C6H2Br2ClI/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyRLXLNRHOXVGHAH-UHFFFAOYSA-N
MW396.25 g/mol
LogP4.47
Rot. Bonds

About 1,5-dibromo-3-chloro-2-iodobenzene

1,5-dibromo-3-chloro-2-iodobenzene (PubChem CID 44557940) has the molecular formula C6H2Br2ClI and a molecular weight of 396.25 g/mol. Its IUPAC name is 1,5-dibromo-3-chloro-2-iodobenzene.

Molecular Properties

Compound Name1,5-dibromo-3-chloro-2-iodobenzene
PubChem CID44557940
Molecular FormulaC6H2Br2ClI
Molecular Weight396.25 g/mol
Exact Mass393.73
IUPAC Name1,5-dibromo-3-chloro-2-iodobenzene
SMILESClc1cc(Br)cc(Br)c1I
InChIInChI=1S/C6H2Br2ClI/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyRLXLNRHOXVGHAH-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 54.47
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

2,4-dibromo-6-chloroaniline
CID 4295982
1,5-dibromo-3-chloro-2-(chloromethyl)benzene
CID 171009724
5-bromo-1,2,3-triiodobenzene
CID 102583151
2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid
CID 43866230
3-bromo-5-chloro-2-iodophenol
CID 131489085
1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
CID 26599128
1,2-dibromo-4,5-dichlorobenzene
CID 4137564
1-bromo-3-chloro-4,5-difluoro-2-iodobenzene
CID 53256791
6-bromo-4-chloro-3-iodo-2H-indazole
CID 24728461
4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
tert-butyl N-(3-bromo-5-chloro-4-iodophenyl)-N-tert-butylcarbamate
CID 176885163
4-bromo-2-chloro-N-iodo-6-methylaniline
CID 163457566

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-chloro-2-iodobenzene?
The IUPAC name of 1,5-dibromo-3-chloro-2-iodobenzene (CID 44557940) is 1,5-dibromo-3-chloro-2-iodobenzene.
What is the SMILES notation for 1,5-dibromo-3-chloro-2-iodobenzene?
The canonical SMILES for 1,5-dibromo-3-chloro-2-iodobenzene is Clc1cc(Br)cc(Br)c1I.
What is the InChIKey of 1,5-dibromo-3-chloro-2-iodobenzene?
The InChIKey is RLXLNRHOXVGHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2ClI/c7-3-1-4(8)6(10)5(9)2-3/h1-2H.
What are the key properties of 1,5-dibromo-3-chloro-2-iodobenzene?
1,5-dibromo-3-chloro-2-iodobenzene has a molecular weight of 396.25 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-chloro-2-iodobenzene is sourced from PubChem (CID 44557940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).