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

C94H116N6+6 — CID 158654153

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

1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 158654153) has the molecular formula C94H116N6+6 and a molecular weight of 1330.00 g/mol. Its IUPAC name is 1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium
• PubChem CID: 158654153
• Molecular Formula: C94H116N6+6
• Molecular Weight: 1330.00 g/mol
• Exact Mass: 1328.92
• IUPAC Name: 1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium
• SMILES: Cc1cc(C)c(C)c(-c2cccc[n+]2C)c1.Cc1ccc(-c2cccc[n+]2C)c(C)c1C.Cc1ccccc1-c1c(C)c(C)c(C)c[n+]1C.Cc1ccccc1-c1c(C)c(C)cc(C)[n+]1C.Cc1ccccc1-c1c(C)cc(C)c(C)[n+]1C.Cc1ccccc1-c1cc(C)c(C)c(C)[n+]1C
• InChI: InChI=1S/4C16H20N.2C15H18N/c1-11-8-6-7-9-15(11)16-14(4)13(3)12(2)10-17(16)5;1-11-8-6-7-9-15(11)16-10-12(2)13(3)14(4)17(16)5;1-11-8-6-7-9-15(11)16-14(4)12(2)10-13(3)17(16)5;1-11-8-6-7-9-15(11)16-13(3)10-12(2)14(4)17(16)5;1-11-8-9-14(13(3)12(11)2)15-7-5-6-10-16(15)4;1-11-9-12(2)13(3)14(10-11)15-7-5-6-8-16(15)4/h4*6-10H,1-5H3;2*5-10H,1-4H3/q6*+1
• InChIKey: IVDISVOLKUQJNG-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 23.28 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1330.00
LogP ≤ 5	19.85
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-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium?

The IUPAC name of 1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium (CID 158654153) is 1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium.

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

The canonical SMILES for 1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium is Cc1cc(C)c(C)c(-c2cccc[n+]2C)c1.Cc1ccc(-c2cccc[n+]2C)c(C)c1C.Cc1ccccc1-c1c(C)c(C)c(C)c[n+]1C.Cc1ccccc1-c1c(C)c(C)cc(C)[n+]1C.Cc1ccccc1-c1c(C)cc(C)c(C)[n+]1C.Cc1ccccc1-c1cc(C)c(C)c(C)[n+]1C.

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

The InChIKey is IVDISVOLKUQJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H20N.2C15H18N/c1-11-8-6-7-9-15(11)16-14(4)13(3)12(2)10-17(16)5;1-11-8-6-7-9-15(11)16-10-12(2)13(3)14(4)17(16)5;1-11-8-6-7-9-15(11)16-14(4)12(2)10-13(3)17(16)5;1-11-8-6-7-9-15(11)16-13(3)10-12(2)14(4)17(16)5;1-11-8-9-14(13(3)12(11)2)15-7-5-6-10-16(15)4;1-11-9-12(2)13(3)14(10-11)15-7-5-6-8-16(15)4/h4*6-10H,1-5H3;2*5-10H,1-4H3/q6*+1.

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

1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 1330.00 g/mol, XLogP of 19.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 158654153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).