tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride

C30H24Cl3Fe3N6 — CID 21312421

IUPACtris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride
SMILES[Cl-].[Cl-].[Cl-].[Fe+3].[Fe+3].[Fe+3].[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1
InChIInChI=1S/6C5H4N.3ClH.3Fe/c6*1-2-4-6-5-3-1;;;;;;/h6*1-4H;3*1H;;;/q6*-1;;;;3*+3/p-3
InChIKeyHJIAANGAYAENKP-UHFFFAOYSA-K
MW742.46 g/mol
LogP-3.70
Rot. Bonds

About tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride

tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride (PubChem CID 21312421) has the molecular formula C30H24Cl3Fe3N6 and a molecular weight of 742.46 g/mol. Its IUPAC name is tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride.

Molecular Properties

Compound Nametris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride
PubChem CID21312421
Molecular FormulaC30H24Cl3Fe3N6
Molecular Weight742.46 g/mol
Exact Mass740.92
IUPAC Nametris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride
SMILES[Cl-].[Cl-].[Cl-].[Fe+3].[Fe+3].[Fe+3].[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1
InChIInChI=1S/6C5H4N.3ClH.3Fe/c6*1-2-4-6-5-3-1;;;;;;/h6*1-4H;3*1H;;;/q6*-1;;;;3*+3/p-3
InChIKeyHJIAANGAYAENKP-UHFFFAOYSA-K
XLogP-3.70
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500742.46
LogP ≤ 5-3.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 87862205
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bis(2H-pyridin-2-ide);zirconium(2+)
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CID 88701657
cobalt;2H-pyridin-2-ide;tungsten
CID 175040679
chloronickel;2H-pyridin-2-ide
CID 175247083
iodopalladium(1+);2H-pyridin-2-ide
CID 141290857
butane;platinum(2+);bis(2H-pyridin-2-ide);dichloride
CID 87932541
zinc;propane;2H-pyridin-2-ide;hydrochloride
CID 87403106
dichloroplatinum(2+);N,N-dimethylmethanamine;bis(2H-pyridin-2-ide)
CID 174571535
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CID 87878154

Frequently Asked Questions

What is the IUPAC name of tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride?
The IUPAC name of tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride (CID 21312421) is tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride.
What is the SMILES notation for tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride?
The canonical SMILES for tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride is [Cl-].[Cl-].[Cl-].[Fe+3].[Fe+3].[Fe+3].[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.[c-]1ccccn1.
What is the InChIKey of tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride?
The InChIKey is HJIAANGAYAENKP-UHFFFAOYSA-K. The full InChI is InChI=1S/6C5H4N.3ClH.3Fe/c6*1-2-4-6-5-3-1;;;;;;/h6*1-4H;3*1H;;;/q6*-1;;;;3*+3/p-3.
What are the key properties of tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride?
tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride has a molecular weight of 742.46 g/mol, XLogP of -3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(iron(3+));hexakis(2H-pyridin-2-ide);trichloride is sourced from PubChem (CID 21312421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).