4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate

C10H10Cl2N2O8 — CID 19097733

IUPAC4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2cc[nH+]cc2)cc[nH+]1
InChIInChI=1S/C10H8N2.2ClHO4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3,4)5/h1-8H;2*(H,2,3,4,5)
InChIKeyJJXXFCUEYPTPCM-UHFFFAOYSA-N
MW357.10 g/mol
LogP-8.53
Rot. Bonds1

About 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate

4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate (PubChem CID 19097733) has the molecular formula C10H10Cl2N2O8 and a molecular weight of 357.10 g/mol. Its IUPAC name is 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate.

Molecular Properties

Compound Name4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate
PubChem CID19097733
Molecular FormulaC10H10Cl2N2O8
Molecular Weight357.10 g/mol
Exact Mass355.98
IUPAC Name4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2cc[nH+]cc2)cc[nH+]1
InChIInChI=1S/C10H8N2.2ClHO4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3,4)5/h1-8H;2*(H,2,3,4,5)
InChIKeyJJXXFCUEYPTPCM-UHFFFAOYSA-N
XLogP-8.53
TPSA212.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.10
LogP ≤ 5-8.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate?
The IUPAC name of 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate (CID 19097733) is 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate.
What is the SMILES notation for 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate?
The canonical SMILES for 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2cc[nH+]cc2)cc[nH+]1.
What is the InChIKey of 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate?
The InChIKey is JJXXFCUEYPTPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2ClHO4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3,4)5/h1-8H;2*(H,2,3,4,5).
What are the key properties of 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate?
4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate has a molecular weight of 357.10 g/mol, XLogP of -8.53, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-1-ium-4-ylpyridin-1-ium diperchlorate is sourced from PubChem (CID 19097733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).