2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium

C90H108N6+6 — CID 158992142

About 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium

2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium (PubChem CID 158992142) has the molecular formula C90H108N6+6 and a molecular weight of 1279.93 g/mol. Its IUPAC name is 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium
• PubChem CID: 158992142
• Molecular Formula: C90H108N6+6
• Molecular Weight: 1279.93 g/mol
• Exact Mass: 1278.90
• IUPAC Name: 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium
• SMILES: Cc1cc(C)c(-c2cccc[n+]2C)cc1C.Cc1cc(C)c(C)c(-c2cccc[n+]2C)c1.Cc1cc(C)c(C)c(-c2cccc[n+]2C)c1.Cc1ccc(-c2cccc[n+]2C)c(C)c1C.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)cc1C.[2H]C([2H])([2H])c1ccc(-c2cccc[n+]2C)c(C)c1C
• InChI: InChI=1S/6C15H18N/c2*1-11-8-9-14(13(3)12(11)2)15-7-5-6-10-16(15)4;2*1-11-9-13(3)14(10-12(11)2)15-7-5-6-8-16(15)4;2*1-11-9-12(2)13(3)14(10-11)15-7-5-6-8-16(15)4/h6*5-10H,1-4H3/q6*+1/i1D3;;1D3
• InChIKey: AZNBJKZKWFFVHJ-GTYSBILASA-N
• XLogP: 18.62
• TPSA: 23.28 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1279.93
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium?

The IUPAC name of 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium (CID 158992142) is 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium.

What is the SMILES notation for 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium?

The canonical SMILES for 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium is Cc1cc(C)c(-c2cccc[n+]2C)cc1C.Cc1cc(C)c(C)c(-c2cccc[n+]2C)c1.Cc1cc(C)c(C)c(-c2cccc[n+]2C)c1.Cc1ccc(-c2cccc[n+]2C)c(C)c1C.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)cc1C.[2H]C([2H])([2H])c1ccc(-c2cccc[n+]2C)c(C)c1C.

What is the InChIKey of 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium?

The InChIKey is AZNBJKZKWFFVHJ-GTYSBILASA-N. The full InChI is InChI=1S/6C15H18N/c2*1-11-8-9-14(13(3)12(11)2)15-7-5-6-10-16(15)4;2*1-11-9-13(3)14(10-12(11)2)15-7-5-6-8-16(15)4;2*1-11-9-12(2)13(3)14(10-11)15-7-5-6-8-16(15)4/h6*5-10H,1-4H3/q6*+1/i1D3;;1D3;;;.

What are the key properties of 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium?

2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium has a molecular weight of 1279.93 g/mol, XLogP of 18.62, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;bis(1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 158992142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).