1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium

C195H234N13+13 — CID 161214433

About 1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium

1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium (PubChem CID 161214433) has the molecular formula C195H234N13+13 and a molecular weight of 2766.14 g/mol. Its IUPAC name is 1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium
• PubChem CID: 161214433
• Molecular Formula: C195H234N13+13
• Molecular Weight: 2766.14 g/mol
• Exact Mass: 2763.90
• IUPAC Name: 1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium
• SMILES: Cc1cc(C)c(-c2cccc[n+]2C)c(C)c1.Cc1ccc(-c2c(C)ccc[n+]2C)c(C)c1.Cc1ccc(C)c(-c2c(C)ccc[n+]2C)c1.Cc1ccc(C)c(-c2c(C)ccc[n+]2C)c1.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1cccc(-c2c(C)ccc[n+]2C)c1C.Cc1cccc(-c2c(C)ccc[n+]2C)c1C.Cc1cccc(C)c1-c1c(C)ccc[n+]1C.Cc1cccc(C)c1-c1c(C)ccc[n+]1C.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc[n+]2C)c(C)c1
• InChI: InChI=1S/13C15H18N/c2*1-11-7-5-9-14(13(11)3)15-12(2)8-6-10-16(15)4;2*1-11-7-5-8-12(2)14(11)15-13(3)9-6-10-16(15)4;2*1-11-7-8-12(2)14(10-11)15-13(3)6-5-9-16(15)4;2*1-11-7-8-14(13(3)10-11)15-12(2)6-5-9-16(15)4;3*1-11-8-9-12(2)15(13(11)3)14-7-5-6-10-16(14)4;2*1-11-9-12(2)15(13(3)10-11)14-7-5-6-8-16(14)4/h13*5-10H,1-4H3/q13*+1/i;;;;;;1D3;;;;;1D3
• InChIKey: WGNMBUFBXZRLMV-LCFJKGPJSA-N
• XLogP: 40.34
• TPSA: 50.44 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2766.14
LogP ≤ 5	40.34
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-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium?

The IUPAC name of 1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium (CID 161214433) is 1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium.

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

The canonical SMILES for 1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium is Cc1cc(C)c(-c2cccc[n+]2C)c(C)c1.Cc1ccc(-c2c(C)ccc[n+]2C)c(C)c1.Cc1ccc(C)c(-c2c(C)ccc[n+]2C)c1.Cc1ccc(C)c(-c2c(C)ccc[n+]2C)c1.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1cccc(-c2c(C)ccc[n+]2C)c1C.Cc1cccc(-c2c(C)ccc[n+]2C)c1C.Cc1cccc(C)c1-c1c(C)ccc[n+]1C.Cc1cccc(C)c1-c1c(C)ccc[n+]1C.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc[n+]2C)c(C)c1.

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

The InChIKey is WGNMBUFBXZRLMV-LCFJKGPJSA-N. The full InChI is InChI=1S/13C15H18N/c2*1-11-7-5-9-14(13(11)3)15-12(2)8-6-10-16(15)4;2*1-11-7-5-8-12(2)14(11)15-13(3)9-6-10-16(15)4;2*1-11-7-8-12(2)14(10-11)15-13(3)6-5-9-16(15)4;2*1-11-7-8-14(13(3)10-11)15-12(2)6-5-9-16(15)4;3*1-11-8-9-12(2)15(13(11)3)14-7-5-6-10-16(14)4;2*1-11-9-12(2)15(13(3)10-11)14-7-5-6-8-16(14)4/h13*5-10H,1-4H3/q13*+1/i;;;;;;1D3;;;;;1D3;.

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

1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium has a molecular weight of 2766.14 g/mol, XLogP of 40.34, 15 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-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 161214433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).