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

C176H220N11+11 — CID 158893787

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

6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium (PubChem CID 158893787) has the molecular formula C176H220N11+11 and a molecular weight of 2498.83 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium.

Molecular Properties

• Compound Name: 6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
• PubChem CID: 158893787
• Molecular Formula: C176H220N11+11
• Molecular Weight: 2498.83 g/mol
• Exact Mass: 2496.81
• IUPAC Name: 6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
• SMILES: Cc1cc(C)[n+](C)c(-c2c(C)cccc2C)c1.Cc1cc(C)[n+](C)c(-c2c(C)cccc2C)c1.Cc1ccc(-c2cc(C)cc(C)[n+]2C)c(C)c1.Cc1ccc(-c2ccc(C)c(C)[n+]2C)c(C)c1.Cc1ccc(C)c(-c2cc(C)cc(C)[n+]2C)c1.Cc1ccc(C)c(-c2cc(C)cc(C)[n+]2C)c1.Cc1cccc(-c2ccc(C)c(C)[n+]2C)c1C.Cc1ccccc1-c1c(C)c(C)cc(C)[n+]1C.Cc1ccccc1-c1c(C)c(C)cc(C)[n+]1C.[2H]C([2H])([2H])c1ccc(-c2cc(C)cc(C)[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cccc(C)c2C)[n+](C)c1C([2H])([2H])[2H]
• InChI: InChI=1S/11C16H20N/c1-11-6-8-15(13(3)10-11)16-9-7-12(2)14(4)17(16)5;2*1-11-6-7-13(3)15(9-11)16-10-12(2)8-14(4)17(16)5;2*1-11-6-7-15(13(3)8-11)16-10-12(2)9-14(4)17(16)5;2*1-11-9-14(4)17(5)15(10-11)16-12(2)7-6-8-13(16)3;2*1-11-7-6-8-15(13(11)3)16-10-9-12(2)14(4)17(16)5;2*1-11-8-6-7-9-15(11)16-14(4)12(2)10-13(3)17(16)5/h11*6-10H,1-5H3/q11*+1/i;;;1D3;;;;2D3,4D3
• InChIKey: FLFYEABRHJHGFY-SBGZJFJSSA-N
• XLogP: 37.53
• TPSA: 42.68 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2498.83
LogP ≤ 5	37.53
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 6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium?

The IUPAC name of 6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium (CID 158893787) is 6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium.

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

The canonical SMILES for 6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium is Cc1cc(C)[n+](C)c(-c2c(C)cccc2C)c1.Cc1cc(C)[n+](C)c(-c2c(C)cccc2C)c1.Cc1ccc(-c2cc(C)cc(C)[n+]2C)c(C)c1.Cc1ccc(-c2ccc(C)c(C)[n+]2C)c(C)c1.Cc1ccc(C)c(-c2cc(C)cc(C)[n+]2C)c1.Cc1ccc(C)c(-c2cc(C)cc(C)[n+]2C)c1.Cc1cccc(-c2ccc(C)c(C)[n+]2C)c1C.Cc1ccccc1-c1c(C)c(C)cc(C)[n+]1C.Cc1ccccc1-c1c(C)c(C)cc(C)[n+]1C.[2H]C([2H])([2H])c1ccc(-c2cc(C)cc(C)[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cccc(C)c2C)[n+](C)c1C([2H])([2H])[2H].

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

The InChIKey is FLFYEABRHJHGFY-SBGZJFJSSA-N. The full InChI is InChI=1S/11C16H20N/c1-11-6-8-15(13(3)10-11)16-9-7-12(2)14(4)17(16)5;2*1-11-6-7-13(3)15(9-11)16-10-12(2)8-14(4)17(16)5;2*1-11-6-7-15(13(3)8-11)16-10-12(2)9-14(4)17(16)5;2*1-11-9-14(4)17(5)15(10-11)16-12(2)7-6-8-13(16)3;2*1-11-7-6-8-15(13(11)3)16-10-9-12(2)14(4)17(16)5;2*1-11-8-6-7-9-15(11)16-14(4)12(2)10-13(3)17(16)5/h11*6-10H,1-5H3/q11*+1/i;;;1D3;;;;2D3,4D3;;;.

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

6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium has a molecular weight of 2498.83 g/mol, XLogP of 37.53, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 158893787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).