1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium

C93H126N6+6 — CID 161485827

About 1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium

1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 161485827) has the molecular formula C93H126N6+6 and a molecular weight of 1334.11 g/mol. Its IUPAC name is 1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium
• PubChem CID: 161485827
• Molecular Formula: C93H126N6+6
• Molecular Weight: 1334.11 g/mol
• Exact Mass: 1333.04
• IUPAC Name: 1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium
• SMILES: C.C.C.C.C.C.Cc1cc[n+](C)c(-c2ccccc2C)c1.Cc1ccccc1-c1c(C)c(C)c(C)c[n+]1C.Cc1ccccc1-c1c(C)ccc[n+]1C.Cc1ccccc1-c1cccc(C)[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1C.[2H]C([2H])([2H])c1ccc(-c2ccccc2C)[n+](C)c1
• InChI: InChI=1S/C16H20N.C15H18N.4C14H16N.6CH4/c1-11-8-6-7-9-15(11)16-14(4)13(3)12(2)10-17(16)5;1-11-7-5-6-8-14(11)15-9-12(2)13(3)10-16(15)4;1-11-7-4-5-9-13(11)14-12(2)8-6-10-15(14)3;1-11-7-4-5-9-13(11)14-10-6-8-12(2)15(14)3;1-11-8-9-15(3)14(10-11)13-7-5-4-6-12(13)2;1-11-8-9-14(15(3)10-11)13-7-5-4-6-12(13)2;;;;;;/h6-10H,1-5H3;5-10H,1-4H3;4*4-10H,1-3H3;6*1H4/q6*+1;;;;;;/i;3D3;;;;1D3
• InChIKey: ASKXGPVQSHCOFS-WMBGBEDNSA-N
• XLogP: 21.51
• TPSA: 23.28 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1334.11
LogP ≤ 5	21.51
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)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium?

The IUPAC name of 1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium (CID 161485827) is 1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium.

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

The canonical SMILES for 1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium is C.C.C.C.C.C.Cc1cc[n+](C)c(-c2ccccc2C)c1.Cc1ccccc1-c1c(C)c(C)c(C)c[n+]1C.Cc1ccccc1-c1c(C)ccc[n+]1C.Cc1ccccc1-c1cccc(C)[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1C.[2H]C([2H])([2H])c1ccc(-c2ccccc2C)[n+](C)c1.

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

The InChIKey is ASKXGPVQSHCOFS-WMBGBEDNSA-N. The full InChI is InChI=1S/C16H20N.C15H18N.4C14H16N.6CH4/c1-11-8-6-7-9-15(11)16-14(4)13(3)12(2)10-17(16)5;1-11-7-5-6-8-14(11)15-9-12(2)13(3)10-16(15)4;1-11-7-4-5-9-13(11)14-12(2)8-6-10-15(14)3;1-11-7-4-5-9-13(11)14-10-6-8-12(2)15(14)3;1-11-8-9-15(3)14(10-11)13-7-5-4-6-12(13)2;1-11-8-9-14(15(3)10-11)13-7-5-4-6-12(13)2;;;;;;/h6-10H,1-5H3;5-10H,1-4H3;4*4-10H,1-3H3;6*1H4/q6*+1;;;;;;/i;3D3;;;;1D3;;;;;;.

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

1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 1334.11 g/mol, XLogP of 21.51, 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-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 161485827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).