1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium

C91H110N6+6 — CID 163765512

About 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium

1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 163765512) has the molecular formula C91H110N6+6 and a molecular weight of 1296.98 g/mol. Its IUPAC name is 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium
• PubChem CID: 163765512
• Molecular Formula: C91H110N6+6
• Molecular Weight: 1296.98 g/mol
• Exact Mass: 1295.93
• IUPAC Name: 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium
• SMILES: Cc1cc(-c2ccccc2C)[n+](C)cc1C.Cc1cc(C)c(-c2ccccc2C)[n+](C)c1.Cc1ccccc1-c1ccc(C)c(C)[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2cccc(C)c2C)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2ccccc2C)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2ccccc2C)[n+](C)c1C
• InChI: InChI=1S/C16H20N.5C15H18N/c1-11-7-6-8-15(14(11)4)16-9-12(2)13(3)10-17(16)5;2*1-11-9-13(3)15(16(4)10-11)14-8-6-5-7-12(14)2;1-11-7-5-6-8-14(11)15-9-12(2)13(3)10-16(15)4;2*1-11-9-10-15(16(4)13(11)3)14-8-6-5-7-12(14)2/h6-10H,1-5H3;5*5-10H,1-4H3/q6*+1/i3D3;1D3;;;1D3
• InChIKey: BYIXLFGZBDQTDI-UATVRERGSA-N
• XLogP: 18.93
• TPSA: 23.28 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1296.98
LogP ≤ 5	18.93
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-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium?

The IUPAC name of 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium (CID 163765512) is 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium.

What is the SMILES notation for 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium?

The canonical SMILES for 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium is Cc1cc(-c2ccccc2C)[n+](C)cc1C.Cc1cc(C)c(-c2ccccc2C)[n+](C)c1.Cc1ccccc1-c1ccc(C)c(C)[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2cccc(C)c2C)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2ccccc2C)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2ccccc2C)[n+](C)c1C.

What is the InChIKey of 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium?

The InChIKey is BYIXLFGZBDQTDI-UATVRERGSA-N. The full InChI is InChI=1S/C16H20N.5C15H18N/c1-11-7-6-8-15(14(11)4)16-9-12(2)13(3)10-17(16)5;2*1-11-9-13(3)15(16(4)10-11)14-8-6-5-7-12(14)2;1-11-7-5-6-8-14(11)15-9-12(2)13(3)10-16(15)4;2*1-11-9-10-15(16(4)13(11)3)14-8-6-5-7-12(14)2/h6-10H,1-5H3;5*5-10H,1-4H3/q6*+1/i3D3;1D3;;;1D3;.

What are the key properties of 1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium?

1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 1296.98 g/mol, XLogP of 18.93, 9 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-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 163765512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).