5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)

C10H9BrFe — CID 15826722

IUPAC5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESBr[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C5H4Br.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2
InChIKeyCHIMDMPJABIKAI-UHFFFAOYSA-N
MW264.93 g/mol
LogP3.57
Rot. Bonds

About 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)

5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (PubChem CID 15826722) has the molecular formula C10H9BrFe and a molecular weight of 264.93 g/mol. Its IUPAC name is 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Name5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
PubChem CID15826722
Molecular FormulaC10H9BrFe
Molecular Weight264.93 g/mol
Exact Mass263.92
IUPAC Name5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESBr[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C5H4Br.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2
InChIKeyCHIMDMPJABIKAI-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.93
LogP ≤ 53.57
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 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The IUPAC name of 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (CID 15826722) is 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) is Br[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The InChIKey is CHIMDMPJABIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2.
What are the key properties of 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) has a molecular weight of 264.93 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 15826722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).