1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium

C86H100N6+6 — CID 158482785

About 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium

1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 158482785) has the molecular formula C86H100N6+6 and a molecular weight of 1217.79 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium
• PubChem CID: 158482785
• Molecular Formula: C86H100N6+6
• Molecular Weight: 1217.79 g/mol
• Exact Mass: 1216.80
• IUPAC Name: 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium
• SMILES: Cc1cc(-c2ccccc2C)[n+](C)cc1C.Cc1cc(C)c(-c2ccccc2C)[n+](C)c1.Cc1cc[n+](C)c(-c2ccccc2C)c1.Cc1cc[n+](C)c(-c2ccccc2C)c1.Cc1ccc(-c2ccccc2C)[n+](C)c1.Cc1ccccc1-c1c(C)ccc[n+]1C
• InChI: InChI=1S/2C15H18N.4C14H16N/c1-11-9-13(3)15(16(4)10-11)14-8-6-5-7-12(14)2;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;2*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/h2*5-10H,1-4H3;4*4-10H,1-3H3/q6*+1
• InChIKey: UXIXGWMBBQWXNZ-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 23.28 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1217.79
LogP ≤ 5	17.39
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 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium?

The IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium (CID 158482785) is 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium.

What is the SMILES notation for 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium?

The canonical SMILES for 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium is Cc1cc(-c2ccccc2C)[n+](C)cc1C.Cc1cc(C)c(-c2ccccc2C)[n+](C)c1.Cc1cc[n+](C)c(-c2ccccc2C)c1.Cc1cc[n+](C)c(-c2ccccc2C)c1.Cc1ccc(-c2ccccc2C)[n+](C)c1.Cc1ccccc1-c1c(C)ccc[n+]1C.

What is the InChIKey of 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium?

The InChIKey is UXIXGWMBBQWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18N.4C14H16N/c1-11-9-13(3)15(16(4)10-11)14-8-6-5-7-12(14)2;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;2*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/h2*5-10H,1-4H3;4*4-10H,1-3H3/q6*+1.

What are the key properties of 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium?

1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 1217.79 g/mol, XLogP of 17.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 158482785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).