pyridine;trichloroiron

C5H5Cl3FeN — CID 67420268

IUPACpyridine;trichloroiron
SMILESCl[Fe](Cl)Cl.c1ccncc1
InChIInChI=1S/C5H5N.3ClH.Fe/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3
InChIKeyFDFDQFBMBIWBJX-UHFFFAOYSA-K
MW241.31 g/mol
LogP3.15
Rot. Bonds

About pyridine;trichloroiron

pyridine;trichloroiron (PubChem CID 67420268) has the molecular formula C5H5Cl3FeN and a molecular weight of 241.31 g/mol. Its IUPAC name is pyridine;trichloroiron.

Molecular Properties

Compound Namepyridine;trichloroiron
PubChem CID67420268
Molecular FormulaC5H5Cl3FeN
Molecular Weight241.31 g/mol
Exact Mass239.88
IUPAC Namepyridine;trichloroiron
SMILESCl[Fe](Cl)Cl.c1ccncc1
InChIInChI=1S/C5H5N.3ClH.Fe/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3
InChIKeyFDFDQFBMBIWBJX-UHFFFAOYSA-K
XLogP3.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyridine;trichloroiron?
The IUPAC name of pyridine;trichloroiron (CID 67420268) is pyridine;trichloroiron.
What is the SMILES notation for pyridine;trichloroiron?
The canonical SMILES for pyridine;trichloroiron is Cl[Fe](Cl)Cl.c1ccncc1.
What is the InChIKey of pyridine;trichloroiron?
The InChIKey is FDFDQFBMBIWBJX-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5N.3ClH.Fe/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3.
What are the key properties of pyridine;trichloroiron?
pyridine;trichloroiron has a molecular weight of 241.31 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;trichloroiron is sourced from PubChem (CID 67420268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).