perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium

C15H22Cl2N2O8+2 — CID 126957010

IUPACperchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium
SMILES[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.c1cc[n+](CCCCC[n+]2ccccc2)cc1
InChIInChI=1S/C15H20N2.2ClHO4/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17;2*2-1(3,4)5/h1-2,4-7,10-13H,3,8-9,14-15H2;2*(H,2,3,4,5)/q+2;;
InChIKeyGBYKNCUDCWEQLN-UHFFFAOYSA-N
MW429.25 g/mol
LogP-6.12
Rot. Bonds6

About perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium

perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium (PubChem CID 126957010) has the molecular formula C15H22Cl2N2O8+2 and a molecular weight of 429.25 g/mol. Its IUPAC name is perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium.

Molecular Properties

Compound Nameperchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium
PubChem CID126957010
Molecular FormulaC15H22Cl2N2O8+2
Molecular Weight429.25 g/mol
Exact Mass428.07
IUPAC Nameperchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium
SMILES[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.c1cc[n+](CCCCC[n+]2ccccc2)cc1
InChIInChI=1S/C15H20N2.2ClHO4/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17;2*2-1(3,4)5/h1-2,4-7,10-13H,3,8-9,14-15H2;2*(H,2,3,4,5)/q+2;;
InChIKeyGBYKNCUDCWEQLN-UHFFFAOYSA-N
XLogP-6.12
TPSA186.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 5-6.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(3-pyridin-1-ium-1-ylpropyl)pyridin-1-ium diperchlorate
CID 45047883
7-pyridin-1-ium-1-ylheptanoate
CID 172697188
8-pyridin-1-ium-1-yloctanoate
CID 10489175
1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
5-pyridin-1-ium-1-ylpentan-1-amine
CID 23422842
1-dodecylpyridin-1-ium
CID 7718
10-pyridin-1-ium-1-yldecan-1-ol;sulfate;sulfite
CID 21146196
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
1-tetradecylpyridin-1-ium;hydrobromide
CID 123133914
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743

Frequently Asked Questions

What is the IUPAC name of perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium?
The IUPAC name of perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium (CID 126957010) is perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium.
What is the SMILES notation for perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium?
The canonical SMILES for perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium is [O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.c1cc[n+](CCCCC[n+]2ccccc2)cc1.
What is the InChIKey of perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium?
The InChIKey is GBYKNCUDCWEQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.2ClHO4/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17;2*2-1(3,4)5/h1-2,4-7,10-13H,3,8-9,14-15H2;2*(H,2,3,4,5)/q+2;;.
What are the key properties of perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium?
perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium has a molecular weight of 429.25 g/mol, XLogP of -6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium is sourced from PubChem (CID 126957010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).