2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium

C97H122N6+6 — CID 157204968

About 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium

2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium (PubChem CID 157204968) has the molecular formula C97H122N6+6 and a molecular weight of 1375.10 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium.

Molecular Properties

• Compound Name: 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium
• PubChem CID: 157204968
• Molecular Formula: C97H122N6+6
• Molecular Weight: 1375.10 g/mol
• Exact Mass: 1373.99
• IUPAC Name: 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium
• SMILES: Cc1cc(C)[n+](C)c(-c2c(C)cccc2C)c1C.Cc1cc(C)[n+](C)c(-c2cccc(C)c2C)c1.Cc1ccc(C)c(-c2c(C)ccc(C)[n+]2C)c1.Cc1ccc(C)c(-c2c(C)ccc(C)[n+]2C)c1.Cc1cccc(C)c1-c1c(C)ccc(C)[n+]1C.[2H]C([2H])([2H])c1cc(C)cc(-c2cccc(C)c2C)[n+]1C
• InChI: InChI=1S/C17H22N.5C16H20N/c1-11-8-7-9-12(2)16(11)17-15(5)13(3)10-14(4)18(17)6;2*1-11-6-7-12(2)15(10-11)16-13(3)8-9-14(4)17(16)5;2*1-11-9-13(3)17(5)16(10-11)15-8-6-7-12(2)14(15)4;1-11-7-6-8-12(2)15(11)16-13(3)9-10-14(4)17(16)5/h7-10H,1-6H3;5*6-10H,1-5H3/q6*+1/i;;;3D3
• InChIKey: XRJQFNNKVKSNQH-MEKBQFRQSA-N
• XLogP: 20.78
• TPSA: 23.28 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.10
LogP ≤ 5	20.78
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 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium?

The IUPAC name of 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium (CID 157204968) is 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(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 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium?

The canonical SMILES for 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium is Cc1cc(C)[n+](C)c(-c2c(C)cccc2C)c1C.Cc1cc(C)[n+](C)c(-c2cccc(C)c2C)c1.Cc1ccc(C)c(-c2c(C)ccc(C)[n+]2C)c1.Cc1ccc(C)c(-c2c(C)ccc(C)[n+]2C)c1.Cc1cccc(C)c1-c1c(C)ccc(C)[n+]1C.[2H]C([2H])([2H])c1cc(C)cc(-c2cccc(C)c2C)[n+]1C.

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

The InChIKey is XRJQFNNKVKSNQH-MEKBQFRQSA-N. The full InChI is InChI=1S/C17H22N.5C16H20N/c1-11-8-7-9-12(2)16(11)17-15(5)13(3)10-14(4)18(17)6;2*1-11-6-7-12(2)15(10-11)16-13(3)8-9-14(4)17(16)5;2*1-11-9-13(3)17(5)16(10-11)15-8-6-7-12(2)14(15)4;1-11-7-6-8-12(2)15(11)16-13(3)9-10-14(4)17(16)5/h7-10H,1-6H3;5*6-10H,1-5H3/q6*+1/i;;;3D3;;.

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

2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(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 1375.10 g/mol, XLogP of 20.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(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 157204968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).