bis(1,5-dibromocyclopenta-1,3-diene);iron(2+)

C10H6Br4Fe — CID 171392748

IUPACbis(1,5-dibromocyclopenta-1,3-diene);iron(2+)
SMILESBrc1ccc[c-]1Br.Brc1ccc[c-]1Br.[Fe+2]
InChIInChI=1S/2C5H3Br2.Fe/c2*6-4-2-1-3-5(4)7;/h2*1-3H;/q2*-1;+2
InChIKeyZMAMQASIMZSAFV-UHFFFAOYSA-N
MW501.62 g/mol
LogP5.86
Rot. Bonds

About bis(1,5-dibromocyclopenta-1,3-diene);iron(2+)

bis(1,5-dibromocyclopenta-1,3-diene);iron(2+) (PubChem CID 171392748) has the molecular formula C10H6Br4Fe and a molecular weight of 501.62 g/mol. Its IUPAC name is bis(1,5-dibromocyclopenta-1,3-diene);iron(2+).

Molecular Properties

Compound Namebis(1,5-dibromocyclopenta-1,3-diene);iron(2+)
PubChem CID171392748
Molecular FormulaC10H6Br4Fe
Molecular Weight501.62 g/mol
Exact Mass497.66
IUPAC Namebis(1,5-dibromocyclopenta-1,3-diene);iron(2+)
SMILESBrc1ccc[c-]1Br.Brc1ccc[c-]1Br.[Fe+2]
InChIInChI=1S/2C5H3Br2.Fe/c2*6-4-2-1-3-5(4)7;/h2*1-3H;/q2*-1;+2
InChIKeyZMAMQASIMZSAFV-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.62
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,5-dibromocyclopenta-1,3-diene);iron(2+)?
The IUPAC name of bis(1,5-dibromocyclopenta-1,3-diene);iron(2+) (CID 171392748) is bis(1,5-dibromocyclopenta-1,3-diene);iron(2+).
What is the SMILES notation for bis(1,5-dibromocyclopenta-1,3-diene);iron(2+)?
The canonical SMILES for bis(1,5-dibromocyclopenta-1,3-diene);iron(2+) is Brc1ccc[c-]1Br.Brc1ccc[c-]1Br.[Fe+2].
What is the InChIKey of bis(1,5-dibromocyclopenta-1,3-diene);iron(2+)?
The InChIKey is ZMAMQASIMZSAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H3Br2.Fe/c2*6-4-2-1-3-5(4)7;/h2*1-3H;/q2*-1;+2.
What are the key properties of bis(1,5-dibromocyclopenta-1,3-diene);iron(2+)?
bis(1,5-dibromocyclopenta-1,3-diene);iron(2+) has a molecular weight of 501.62 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,5-dibromocyclopenta-1,3-diene);iron(2+) is sourced from PubChem (CID 171392748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).