1-chloro-2,4,5-triiodobenzene

C6H2ClI3 — CID 102056311

IUPAC1-chloro-2,4,5-triiodobenzene
SMILESClc1cc(I)c(I)cc1I
InChIInChI=1S/C6H2ClI3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKeyBCKGXRVAEROBIE-UHFFFAOYSA-N
MW490.25 g/mol
LogP4.15
Rot. Bonds

About 1-chloro-2,4,5-triiodobenzene

1-chloro-2,4,5-triiodobenzene (PubChem CID 102056311) has the molecular formula C6H2ClI3 and a molecular weight of 490.25 g/mol. Its IUPAC name is 1-chloro-2,4,5-triiodobenzene.

Molecular Properties

Compound Name1-chloro-2,4,5-triiodobenzene
PubChem CID102056311
Molecular FormulaC6H2ClI3
Molecular Weight490.25 g/mol
Exact Mass489.70
IUPAC Name1-chloro-2,4,5-triiodobenzene
SMILESClc1cc(I)c(I)cc1I
InChIInChI=1S/C6H2ClI3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKeyBCKGXRVAEROBIE-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.25
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4,5-triiodobenzene?
The IUPAC name of 1-chloro-2,4,5-triiodobenzene (CID 102056311) is 1-chloro-2,4,5-triiodobenzene.
What is the SMILES notation for 1-chloro-2,4,5-triiodobenzene?
The canonical SMILES for 1-chloro-2,4,5-triiodobenzene is Clc1cc(I)c(I)cc1I.
What is the InChIKey of 1-chloro-2,4,5-triiodobenzene?
The InChIKey is BCKGXRVAEROBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClI3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H.
What are the key properties of 1-chloro-2,4,5-triiodobenzene?
1-chloro-2,4,5-triiodobenzene has a molecular weight of 490.25 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4,5-triiodobenzene is sourced from PubChem (CID 102056311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).