1-butylpyridin-1-ium;tetrachloroiron(1-)

C9H14Cl4FeN — CID 11573533

IUPAC1-butylpyridin-1-ium;tetrachloroiron(1-)
SMILESCCCC[n+]1ccccc1.Cl[Fe-](Cl)(Cl)Cl
InChIInChI=1S/C9H14N.4ClH.Fe/c1-2-3-7-10-8-5-4-6-9-10;;;;;/h4-6,8-9H,2-3,7H2,1H3;4*1H;/q+1;;;;;+3/p-4
InChIKeyRKZMIXDVXMKZFO-UHFFFAOYSA-J
MW333.88 g/mol
LogP4.53
Rot. Bonds3

About 1-butylpyridin-1-ium;tetrachloroiron(1-)

1-butylpyridin-1-ium;tetrachloroiron(1-) (PubChem CID 11573533) has the molecular formula C9H14Cl4FeN and a molecular weight of 333.88 g/mol. Its IUPAC name is 1-butylpyridin-1-ium;tetrachloroiron(1-).

Molecular Properties

Compound Name1-butylpyridin-1-ium;tetrachloroiron(1-)
PubChem CID11573533
Molecular FormulaC9H14Cl4FeN
Molecular Weight333.88 g/mol
Exact Mass331.92
IUPAC Name1-butylpyridin-1-ium;tetrachloroiron(1-)
SMILESCCCC[n+]1ccccc1.Cl[Fe-](Cl)(Cl)Cl
InChIInChI=1S/C9H14N.4ClH.Fe/c1-2-3-7-10-8-5-4-6-9-10;;;;;/h4-6,8-9H,2-3,7H2,1H3;4*1H;/q+1;;;;;+3/p-4
InChIKeyRKZMIXDVXMKZFO-UHFFFAOYSA-J
XLogP4.53
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butylpyridin-1-ium;chloroaluminum(2+)
CID 68542830
1-butylpyridin-1-ium;sulfane
CID 174615974
1-butylpyridin-1-ium;tetrachloroindiganuide
CID 16689404
1-butylpyridin-1-ium;cobalt;methanone
CID 174808200
1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
1-dodecylpyridin-1-ium
CID 7718
1-pentylpyridin-1-ium;trihydrobromide
CID 174936866
1-tridecylpyridin-1-ium iodide
CID 71429526
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447

Frequently Asked Questions

What is the IUPAC name of 1-butylpyridin-1-ium;tetrachloroiron(1-)?
The IUPAC name of 1-butylpyridin-1-ium;tetrachloroiron(1-) (CID 11573533) is 1-butylpyridin-1-ium;tetrachloroiron(1-).
What is the SMILES notation for 1-butylpyridin-1-ium;tetrachloroiron(1-)?
The canonical SMILES for 1-butylpyridin-1-ium;tetrachloroiron(1-) is CCCC[n+]1ccccc1.Cl[Fe-](Cl)(Cl)Cl.
What is the InChIKey of 1-butylpyridin-1-ium;tetrachloroiron(1-)?
The InChIKey is RKZMIXDVXMKZFO-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H14N.4ClH.Fe/c1-2-3-7-10-8-5-4-6-9-10;;;;;/h4-6,8-9H,2-3,7H2,1H3;4*1H;/q+1;;;;;+3/p-4.
What are the key properties of 1-butylpyridin-1-ium;tetrachloroiron(1-)?
1-butylpyridin-1-ium;tetrachloroiron(1-) has a molecular weight of 333.88 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyridin-1-ium;tetrachloroiron(1-) is sourced from PubChem (CID 11573533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).