1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)

C90H108N6+6 — CID 158794578

About 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)

1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium) (PubChem CID 158794578) has the molecular formula C90H108N6+6 and a molecular weight of 1279.93 g/mol. Its IUPAC name is 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium).

Molecular Properties

• Compound Name: 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)
• PubChem CID: 158794578
• Molecular Formula: C90H108N6+6
• Molecular Weight: 1279.93 g/mol
• Exact Mass: 1278.90
• IUPAC Name: 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)
• SMILES: Cc1ccc(-c2cccc(C)[n+]2C)c(C)c1.Cc1cccc(-c2cccc(C)[n+]2C)c1C.Cc1cccc(C)c1-c1c(C)ccc[n+]1C.Cc1cccc(C)c1-c1c(C)ccc[n+]1C.[2H]C([2H])([2H])c1ccc(-c2cccc(C)[n+]2C)c(C)c1.[2H]C([2H])([2H])c1cccc(-c2cccc(C)[n+]2C)c1C
• InChI: InChI=1S/6C15H18N/c2*1-11-7-5-9-14(13(11)3)15-10-6-8-12(2)16(15)4;2*1-11-7-5-8-12(2)14(11)15-13(3)9-6-10-16(15)4;2*1-11-8-9-14(12(2)10-11)15-7-5-6-13(3)16(15)4/h6*5-10H,1-4H3/q6*+1/i1D3;;;;1D3
• InChIKey: LDDKEDHGYRLUNG-LQQSXDRVSA-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 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)?

The IUPAC name of 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium) (CID 158794578) is 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium).

What is the SMILES notation for 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)?

The canonical SMILES for 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium) is Cc1ccc(-c2cccc(C)[n+]2C)c(C)c1.Cc1cccc(-c2cccc(C)[n+]2C)c1C.Cc1cccc(C)c1-c1c(C)ccc[n+]1C.Cc1cccc(C)c1-c1c(C)ccc[n+]1C.[2H]C([2H])([2H])c1ccc(-c2cccc(C)[n+]2C)c(C)c1.[2H]C([2H])([2H])c1cccc(-c2cccc(C)[n+]2C)c1C.

What is the InChIKey of 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)?

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

What are the key properties of 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)?

1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-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 1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium) is sourced from PubChem (CID 158794578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).