iodanium;bis(2,4,6-trimethylpyridine);perchlorate

C16H24ClIN2O4 — CID 11167278

IUPACiodanium;bis(2,4,6-trimethylpyridine);perchlorate
SMILESCc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.[IH2+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C8H11N.ClHO4.H2I/c2*1-6-4-7(2)9-8(3)5-6;2-1(3,4)5;/h2*4-5H,1-3H3;(H,2,3,4,5);1H2/q;;;+1/p-1
InChIKeyBYIWKLBXMKVCSV-UHFFFAOYSA-M
MW470.74 g/mol
LogP-4.27
Rot. Bonds

About iodanium;bis(2,4,6-trimethylpyridine);perchlorate

iodanium;bis(2,4,6-trimethylpyridine);perchlorate (PubChem CID 11167278) has the molecular formula C16H24ClIN2O4 and a molecular weight of 470.74 g/mol. Its IUPAC name is iodanium;bis(2,4,6-trimethylpyridine);perchlorate.

Molecular Properties

Compound Nameiodanium;bis(2,4,6-trimethylpyridine);perchlorate
PubChem CID11167278
Molecular FormulaC16H24ClIN2O4
Molecular Weight470.74 g/mol
Exact Mass470.05
IUPAC Nameiodanium;bis(2,4,6-trimethylpyridine);perchlorate
SMILESCc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.[IH2+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C8H11N.ClHO4.H2I/c2*1-6-4-7(2)9-8(3)5-6;2-1(3,4)5;/h2*4-5H,1-3H3;(H,2,3,4,5);1H2/q;;;+1/p-1
InChIKeyBYIWKLBXMKVCSV-UHFFFAOYSA-M
XLogP-4.27
TPSA118.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.74
LogP ≤ 5-4.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodanium;bis(2,4,6-trimethylpyridine);perchlorate?
The IUPAC name of iodanium;bis(2,4,6-trimethylpyridine);perchlorate (CID 11167278) is iodanium;bis(2,4,6-trimethylpyridine);perchlorate.
What is the SMILES notation for iodanium;bis(2,4,6-trimethylpyridine);perchlorate?
The canonical SMILES for iodanium;bis(2,4,6-trimethylpyridine);perchlorate is Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.[IH2+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of iodanium;bis(2,4,6-trimethylpyridine);perchlorate?
The InChIKey is BYIWKLBXMKVCSV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C8H11N.ClHO4.H2I/c2*1-6-4-7(2)9-8(3)5-6;2-1(3,4)5;/h2*4-5H,1-3H3;(H,2,3,4,5);1H2/q;;;+1/p-1.
What are the key properties of iodanium;bis(2,4,6-trimethylpyridine);perchlorate?
iodanium;bis(2,4,6-trimethylpyridine);perchlorate has a molecular weight of 470.74 g/mol, XLogP of -4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iodanium;bis(2,4,6-trimethylpyridine);perchlorate is sourced from PubChem (CID 11167278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).