2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide

C6H4ClI — CID 174597411

IUPAC2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide
SMILESC1=CC2=C(C=C21)Cl.I
InChIInChI=1S/C6H3Cl.HI/c7-6-3-4-1-2-5(4)6;/h1-3H;1H
InChIKeyUTSZARIJZRUOIU-UHFFFAOYSA-N
MW238.45 g/mol
LogP—
Rot. Bonds

About 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide

2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide (PubChem CID 174597411) has the molecular formula C6H4ClI and a molecular weight of 238.45 g/mol. Its IUPAC name is 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide.

Molecular Properties

Compound Name2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide
PubChem CID174597411
Molecular FormulaC6H4ClI
Molecular Weight238.45 g/mol
Exact Mass237.90
IUPAC Name2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide
SMILESC1=CC2=C(C=C21)Cl.I
InChIInChI=1S/C6H3Cl.HI/c7-6-3-4-1-2-5(4)6;/h1-3H;1H
InChIKeyUTSZARIJZRUOIU-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity90

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
H-Bond Donors ≤ 51
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 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide?
The IUPAC name of 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide (CID 174597411) is 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide.
What is the SMILES notation for 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide?
The canonical SMILES for 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide is C1=CC2=C(C=C21)Cl.I.
What is the InChIKey of 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide?
The InChIKey is UTSZARIJZRUOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl.HI/c7-6-3-4-1-2-5(4)6;/h1-3H;1H.
What are the key properties of 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide?
2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide has a molecular weight of 238.45 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide is sourced from PubChem (CID 174597411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).