1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium

C112H140N7+7 — CID 159751112

About 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium

1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium (PubChem CID 159751112) has the molecular formula C112H140N7+7 and a molecular weight of 1599.49 g/mol. Its IUPAC name is 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium.

Molecular Properties

• Compound Name: 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium
• PubChem CID: 159751112
• Molecular Formula: C112H140N7+7
• Molecular Weight: 1599.49 g/mol
• Exact Mass: 1598.21
• IUPAC Name: 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium
• SMILES: Cc1ccc(-c2c(C)ccc(C)[n+]2C)c(C)c1.Cc1ccc(C)c(-c2c(C)ccc(C)[n+]2C)c1.Cc1cccc(-c2c(C)ccc(C)[n+]2C)c1C.Cc1cccc(C)c1-c1c(C)ccc(C)[n+]1C.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc(C([2H])([2H])[2H])[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(C)c(-c2cc(C)ccc2C)[n+]1C.[2H]C([2H])([2H])c1cccc(-c2c(C)ccc(C([2H])([2H])[2H])[n+]2C)c1C
• InChI: InChI=1S/7C16H20N/c2*1-11-6-9-15(13(3)10-11)16-12(2)7-8-14(4)17(16)5;2*1-11-6-7-12(2)15(10-11)16-13(3)8-9-14(4)17(16)5;2*1-11-7-6-8-15(14(11)4)16-12(2)9-10-13(3)17(16)5;1-11-7-6-8-12(2)15(11)16-13(3)9-10-14(4)17(16)5/h7*6-10H,1-5H3/q7*+1/i1D3,4D3;;4D3;;1D3,3D3
• InChIKey: DQLXQDSEQNUNSZ-VJXHSNHFSA-N
• XLogP: 23.88
• TPSA: 27.16 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1599.49
LogP ≤ 5	23.88
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 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium?

The IUPAC name of 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium (CID 159751112) is 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium.

What is the SMILES notation for 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium?

The canonical SMILES for 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium is Cc1ccc(-c2c(C)ccc(C)[n+]2C)c(C)c1.Cc1ccc(C)c(-c2c(C)ccc(C)[n+]2C)c1.Cc1cccc(-c2c(C)ccc(C)[n+]2C)c1C.Cc1cccc(C)c1-c1c(C)ccc(C)[n+]1C.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc(C([2H])([2H])[2H])[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(C)c(-c2cc(C)ccc2C)[n+]1C.[2H]C([2H])([2H])c1cccc(-c2c(C)ccc(C([2H])([2H])[2H])[n+]2C)c1C.

What is the InChIKey of 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium?

The InChIKey is DQLXQDSEQNUNSZ-VJXHSNHFSA-N. The full InChI is InChI=1S/7C16H20N/c2*1-11-6-9-15(13(3)10-11)16-12(2)7-8-14(4)17(16)5;2*1-11-6-7-12(2)15(10-11)16-13(3)8-9-14(4)17(16)5;2*1-11-7-6-8-15(14(11)4)16-12(2)9-10-13(3)17(16)5;1-11-7-6-8-12(2)15(11)16-13(3)9-10-14(4)17(16)5/h7*6-10H,1-5H3/q7*+1/i1D3,4D3;;4D3;;1D3,3D3;;.

What are the key properties of 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium?

1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium has a molecular weight of 1599.49 g/mol, XLogP of 23.88, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium is sourced from PubChem (CID 159751112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).