2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium

C85H110N5+5 — CID 162171210

About 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium

2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium (PubChem CID 162171210) has the molecular formula C85H110N5+5 and a molecular weight of 1213.92 g/mol. Its IUPAC name is 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium
• PubChem CID: 162171210
• Molecular Formula: C85H110N5+5
• Molecular Weight: 1213.92 g/mol
• Exact Mass: 1212.95
• IUPAC Name: 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium
• SMILES: Cc1cc(-c2ccc(C)c(C)c2C)[n+](C)cc1C.Cc1cc(C)c(-c2cc(C)c(C)c[n+]2C)c(C)c1.Cc1cc(C)c(-c2cc(C)c(C)c[n+]2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccc(C([2H])([2H])[2H])c(C)c2C)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])([2H])[2H])c[n+]2C)c(C)c1
• InChI: InChI=1S/5C17H22N/c1-11-7-14(4)16(8-12(11)2)17-9-13(3)15(5)10-18(17)6;2*1-11-7-13(3)17(14(4)8-11)16-9-12(2)15(5)10-18(16)6;2*1-11-7-8-16(15(5)14(11)4)17-9-12(2)13(3)10-18(17)6/h5*7-10H,1-6H3/q5*+1/i;1D3,5D3;;1D3,3D3
• InChIKey: FSBWWGCMRYMWQD-OIZUHJPKSA-N
• XLogP: 18.60
• TPSA: 19.40 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.92
LogP ≤ 5	18.60
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-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium?

The IUPAC name of 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium (CID 162171210) is 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium.

What is the SMILES notation for 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium?

The canonical SMILES for 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium is Cc1cc(-c2ccc(C)c(C)c2C)[n+](C)cc1C.Cc1cc(C)c(-c2cc(C)c(C)c[n+]2C)c(C)c1.Cc1cc(C)c(-c2cc(C)c(C)c[n+]2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccc(C([2H])([2H])[2H])c(C)c2C)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])([2H])[2H])c[n+]2C)c(C)c1.

What is the InChIKey of 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium?

The InChIKey is FSBWWGCMRYMWQD-OIZUHJPKSA-N. The full InChI is InChI=1S/5C17H22N/c1-11-7-14(4)16(8-12(11)2)17-9-13(3)15(5)10-18(17)6;2*1-11-7-13(3)17(14(4)8-11)16-9-12(2)15(5)10-18(16)6;2*1-11-7-8-16(15(5)14(11)4)17-9-12(2)13(3)10-18(17)6/h5*7-10H,1-6H3/q5*+1/i;1D3,5D3;;1D3,3D3;.

What are the key properties of 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium?

2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium has a molecular weight of 1213.92 g/mol, XLogP of 18.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,5-trimethylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 162171210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).