2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium

C13H15N2+ — CID 3782184

IUPAC2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium
SMILESCc1cc(C)[n+](-c2ccccn2)c(C)c1
InChIInChI=1S/C13H15N2/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14-13/h4-9H,1-3H3/q+1
InChIKeyULOOJLWHNCZFGF-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.28
Rot. Bonds1

About 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium

2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium (PubChem CID 3782184) has the molecular formula C13H15N2+ and a molecular weight of 199.28 g/mol. Its IUPAC name is 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium.

Molecular Properties

Compound Name2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium
PubChem CID3782184
Molecular FormulaC13H15N2+
Molecular Weight199.28 g/mol
Exact Mass199.12
IUPAC Name2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium
SMILESCc1cc(C)[n+](-c2ccccn2)c(C)c1
InChIInChI=1S/C13H15N2/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14-13/h4-9H,1-3H3/q+1
InChIKeyULOOJLWHNCZFGF-UHFFFAOYSA-N
XLogP2.28
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-2,6-diphenyl-1-pyridin-2-ylpyridin-1-ium perchlorate
CID 12627150
2-(2,4,6-trimethylphenyl)iodanuidylpyridine
CID 156707211
2-methylpyrimidine;toluene
CID 157227208
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
(S)-(3,5-dimethylphenyl)-pyridin-2-ylmethanol
CID 1203668
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 168892681
2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
CID 101459024
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
2-pyridin-1-ium-1-yl-1-pyridin-2-ylpyridin-1-ium
CID 67066972
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium?
The IUPAC name of 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium (CID 3782184) is 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium.
What is the SMILES notation for 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium?
The canonical SMILES for 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium is Cc1cc(C)[n+](-c2ccccn2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium?
The InChIKey is ULOOJLWHNCZFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14-13/h4-9H,1-3H3/q+1.
What are the key properties of 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium?
2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium has a molecular weight of 199.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1-pyridin-2-ylpyridin-1-ium is sourced from PubChem (CID 3782184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).