5-ethyl-1,2,3-triiodobenzene

C8H7I3 — CID 70822750

IUPAC5-ethyl-1,2,3-triiodobenzene
SMILESCCc1cc(I)c(I)c(I)c1
InChIInChI=1S/C8H7I3/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4H,2H2,1H3
InChIKeyNPCSAEQQXSAOJF-UHFFFAOYSA-N
MW483.86 g/mol
LogP4.06
Rot. Bonds1

About 5-ethyl-1,2,3-triiodobenzene

5-ethyl-1,2,3-triiodobenzene (PubChem CID 70822750) has the molecular formula C8H7I3 and a molecular weight of 483.86 g/mol. Its IUPAC name is 5-ethyl-1,2,3-triiodobenzene.

Molecular Properties

Compound Name5-ethyl-1,2,3-triiodobenzene
PubChem CID70822750
Molecular FormulaC8H7I3
Molecular Weight483.86 g/mol
Exact Mass483.77
IUPAC Name5-ethyl-1,2,3-triiodobenzene
SMILESCCc1cc(I)c(I)c(I)c1
InChIInChI=1S/C8H7I3/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4H,2H2,1H3
InChIKeyNPCSAEQQXSAOJF-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.86
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3-triiodobenzene?
The IUPAC name of 5-ethyl-1,2,3-triiodobenzene (CID 70822750) is 5-ethyl-1,2,3-triiodobenzene.
What is the SMILES notation for 5-ethyl-1,2,3-triiodobenzene?
The canonical SMILES for 5-ethyl-1,2,3-triiodobenzene is CCc1cc(I)c(I)c(I)c1.
What is the InChIKey of 5-ethyl-1,2,3-triiodobenzene?
The InChIKey is NPCSAEQQXSAOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7I3/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4H,2H2,1H3.
What are the key properties of 5-ethyl-1,2,3-triiodobenzene?
5-ethyl-1,2,3-triiodobenzene has a molecular weight of 483.86 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3-triiodobenzene is sourced from PubChem (CID 70822750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).