5-iodocyclohepta-1,2,4,6-tetraene

C7H5I — CID 71417330

IUPAC5-iodocyclohepta-1,2,4,6-tetraene
SMILESIC1=CC=C=CC=C1
InChIInChI=1S/C7H5I/c8-7-5-3-1-2-4-6-7/h1,3-6H
InChIKeyIIOSIWFSUZJXMZ-UHFFFAOYSA-N
MW216.02 g/mol
LogP2.59
Rot. Bonds

About 5-iodocyclohepta-1,2,4,6-tetraene

5-iodocyclohepta-1,2,4,6-tetraene (PubChem CID 71417330) has the molecular formula C7H5I and a molecular weight of 216.02 g/mol. Its IUPAC name is 5-iodocyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name5-iodocyclohepta-1,2,4,6-tetraene
PubChem CID71417330
Molecular FormulaC7H5I
Molecular Weight216.02 g/mol
Exact Mass215.94
IUPAC Name5-iodocyclohepta-1,2,4,6-tetraene
SMILESIC1=CC=C=CC=C1
InChIInChI=1S/C7H5I/c8-7-5-3-1-2-4-6-7/h1,3-6H
InChIKeyIIOSIWFSUZJXMZ-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodocyclohepta-1,2,4,6-tetraene?
The IUPAC name of 5-iodocyclohepta-1,2,4,6-tetraene (CID 71417330) is 5-iodocyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 5-iodocyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 5-iodocyclohepta-1,2,4,6-tetraene is IC1=CC=C=CC=C1.
What is the InChIKey of 5-iodocyclohepta-1,2,4,6-tetraene?
The InChIKey is IIOSIWFSUZJXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5I/c8-7-5-3-1-2-4-6-7/h1,3-6H.
What are the key properties of 5-iodocyclohepta-1,2,4,6-tetraene?
5-iodocyclohepta-1,2,4,6-tetraene has a molecular weight of 216.02 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodocyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 71417330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).