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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Related Compounds

CID 7953
CID 7953
CID 3025961
CID 3025961
CID 5311432
CID 5311432
CID 15100
CID 15100
CID 98898
CID 98898
CID 11424570
CID 11424570
CID 44416004
CID 44416004
CID 9794588
CID 9794588
CID 5899185
CID 5899185
CID 140675
CID 140675
CID 76904
CID 76904
CID 3084917
CID 3084917

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).