bis(2,4,6-trimethyl-3-pyridinyl)iodanium

C16H20IN2+ — CID 71307527

IUPACbis(2,4,6-trimethyl-3-pyridinyl)iodanium
SMILESCc1cc(C)c([I+]c2c(C)cc(C)nc2C)c(C)n1
InChIInChI=1S/C16H20IN2/c1-9-7-11(3)18-13(5)15(9)17-16-10(2)8-12(4)19-14(16)6/h7-8H,1-6H3/q+1
InChIKeyUUXZOKDQWZOKBX-UHFFFAOYSA-N
MW367.25 g/mol
LogP0.46
Rot. Bonds2

About bis(2,4,6-trimethyl-3-pyridinyl)iodanium

bis(2,4,6-trimethyl-3-pyridinyl)iodanium (PubChem CID 71307527) has the molecular formula C16H20IN2+ and a molecular weight of 367.25 g/mol. Its IUPAC name is bis(2,4,6-trimethyl-3-pyridinyl)iodanium.

Molecular Properties

Compound Namebis(2,4,6-trimethyl-3-pyridinyl)iodanium
PubChem CID71307527
Molecular FormulaC16H20IN2+
Molecular Weight367.25 g/mol
Exact Mass367.07
IUPAC Namebis(2,4,6-trimethyl-3-pyridinyl)iodanium
SMILESCc1cc(C)c([I+]c2c(C)cc(C)nc2C)c(C)n1
InChIInChI=1S/C16H20IN2/c1-9-7-11(3)18-13(5)15(9)17-16-10(2)8-12(4)19-14(16)6/h7-8H,1-6H3/q+1
InChIKeyUUXZOKDQWZOKBX-UHFFFAOYSA-N
XLogP0.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-trimethyl-3-pyridinyl)iodanium?
The IUPAC name of bis(2,4,6-trimethyl-3-pyridinyl)iodanium (CID 71307527) is bis(2,4,6-trimethyl-3-pyridinyl)iodanium.
What is the SMILES notation for bis(2,4,6-trimethyl-3-pyridinyl)iodanium?
The canonical SMILES for bis(2,4,6-trimethyl-3-pyridinyl)iodanium is Cc1cc(C)c([I+]c2c(C)cc(C)nc2C)c(C)n1.
What is the InChIKey of bis(2,4,6-trimethyl-3-pyridinyl)iodanium?
The InChIKey is UUXZOKDQWZOKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN2/c1-9-7-11(3)18-13(5)15(9)17-16-10(2)8-12(4)19-14(16)6/h7-8H,1-6H3/q+1.
What are the key properties of bis(2,4,6-trimethyl-3-pyridinyl)iodanium?
bis(2,4,6-trimethyl-3-pyridinyl)iodanium has a molecular weight of 367.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trimethyl-3-pyridinyl)iodanium is sourced from PubChem (CID 71307527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).