2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium

C80H76F4N4+4 — CID 158176412

About 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium

2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium (PubChem CID 158176412) has the molecular formula C80H76F4N4+4 and a molecular weight of 1169.51 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium
• PubChem CID: 158176412
• Molecular Formula: C80H76F4N4+4
• Molecular Weight: 1169.51 g/mol
• Exact Mass: 1168.60
• IUPAC Name: 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium
• SMILES: Cc1ccc(-c2c(F)cc(-c3ccccc3)c[n+]2C)c(C)c1.Cc1ccc(-c2cc(F)c(-c3ccccc3C)[n+](C)c2)cc1.Cc1cccc(-c2cc(F)c(-c3ccccc3C)[n+](C)c2)c1.Cc1ccccc1-c1cc(F)c(-c2ccccc2C)[n+](C)c1
• InChI: InChI=1S/4C20H19FN/c1-14-8-4-6-10-17(14)16-12-19(21)20(22(3)13-16)18-11-7-5-9-15(18)2;1-14-7-6-9-16(11-14)17-12-19(21)20(22(3)13-17)18-10-5-4-8-15(18)2;1-14-8-10-16(11-9-14)17-12-19(21)20(22(3)13-17)18-7-5-4-6-15(18)2;1-14-9-10-18(15(2)11-14)20-19(21)12-17(13-22(20)3)16-7-5-4-6-8-16/h4*4-13H,1-3H3/q4*+1
• InChIKey: VEUDRYFUGUARQF-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 15.52 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.51
LogP ≤ 5	18.40
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-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium?

The IUPAC name of 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium (CID 158176412) is 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium.

What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium?

The canonical SMILES for 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium is Cc1ccc(-c2c(F)cc(-c3ccccc3)c[n+]2C)c(C)c1.Cc1ccc(-c2cc(F)c(-c3ccccc3C)[n+](C)c2)cc1.Cc1cccc(-c2cc(F)c(-c3ccccc3C)[n+](C)c2)c1.Cc1ccccc1-c1cc(F)c(-c2ccccc2C)[n+](C)c1.

What is the InChIKey of 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium?

The InChIKey is VEUDRYFUGUARQF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H19FN/c1-14-8-4-6-10-17(14)16-12-19(21)20(22(3)13-16)18-11-7-5-9-15(18)2;1-14-7-6-9-16(11-14)17-12-19(21)20(22(3)13-17)18-10-5-4-8-15(18)2;1-14-8-10-16(11-9-14)17-12-19(21)20(22(3)13-17)18-7-5-4-6-15(18)2;1-14-9-10-18(15(2)11-14)20-19(21)12-17(13-22(20)3)16-7-5-4-6-8-16/h4*4-13H,1-3H3/q4*+1.

What are the key properties of 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium?

2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium has a molecular weight of 1169.51 g/mol, XLogP of 18.40, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylphenyl)-3-fluoro-1-methyl-5-phenylpyridin-1-ium;3-fluoro-1-methyl-2,5-bis(2-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(3-methylphenyl)pyridin-1-ium;3-fluoro-1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 158176412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).