2,4,6-trimethylpyridin-1-ium iodide

C8H12IN — CID 58278213

IUPAC2,4,6-trimethylpyridin-1-ium iodide
SMILESCc1cc(C)[nH+]c(C)c1.[I-]
InChIInChI=1S/C8H11N.HI/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H
InChIKeyQFCWZBODUWFXJA-UHFFFAOYSA-N
MW249.09 g/mol
LogP-1.57
Rot. Bonds

About 2,4,6-trimethylpyridin-1-ium iodide

2,4,6-trimethylpyridin-1-ium iodide (PubChem CID 58278213) has the molecular formula C8H12IN and a molecular weight of 249.09 g/mol. Its IUPAC name is 2,4,6-trimethylpyridin-1-ium iodide.

Molecular Properties

Compound Name2,4,6-trimethylpyridin-1-ium iodide
PubChem CID58278213
Molecular FormulaC8H12IN
Molecular Weight249.09 g/mol
Exact Mass249.00
IUPAC Name2,4,6-trimethylpyridin-1-ium iodide
SMILESCc1cc(C)[nH+]c(C)c1.[I-]
InChIInChI=1S/C8H11N.HI/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H
InChIKeyQFCWZBODUWFXJA-UHFFFAOYSA-N
XLogP-1.57
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylpyridin-1-ium iodide?
The IUPAC name of 2,4,6-trimethylpyridin-1-ium iodide (CID 58278213) is 2,4,6-trimethylpyridin-1-ium iodide.
What is the SMILES notation for 2,4,6-trimethylpyridin-1-ium iodide?
The canonical SMILES for 2,4,6-trimethylpyridin-1-ium iodide is Cc1cc(C)[nH+]c(C)c1.[I-].
What is the InChIKey of 2,4,6-trimethylpyridin-1-ium iodide?
The InChIKey is QFCWZBODUWFXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.HI/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H.
What are the key properties of 2,4,6-trimethylpyridin-1-ium iodide?
2,4,6-trimethylpyridin-1-ium iodide has a molecular weight of 249.09 g/mol, XLogP of -1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpyridin-1-ium iodide is sourced from PubChem (CID 58278213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).