2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium

C71H78F6N7O2+5 — CID 159958143

About 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium

2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium (PubChem CID 159958143) has the molecular formula C71H78F6N7O2+5 and a molecular weight of 1175.44 g/mol. Its IUPAC name is 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium.

Molecular Properties

• Compound Name: 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium
• PubChem CID: 159958143
• Molecular Formula: C71H78F6N7O2+5
• Molecular Weight: 1175.44 g/mol
• Exact Mass: 1174.61
• IUPAC Name: 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium
• SMILES: CCCn1c[n+](C)c(-c2ccccc2C)n1.COc1cc[n+](C)c(-c2c(C)cc(F)cc2F)c1.Cc1cc(F)ccc1-c1ccc(C(F)(F)F)c[n+]1C.Cc1ccc2ccccc2c1-c1cccc[n+]1C.Cc1ccccc1C1=[N+](C)C(C)(C)CO1
• InChI: InChI=1S/C17H16N.C14H12F4N.C14H14F2NO.C13H18N3.C13H18NO/c1-13-10-11-14-7-3-4-8-15(14)17(13)16-9-5-6-12-18(16)2;1-9-7-11(15)4-5-12(9)13-6-3-10(8-19(13)2)14(16,17)18;1-9-6-10(15)7-12(16)14(9)13-8-11(18-3)4-5-17(13)2;1-4-9-16-10-15(3)13(14-16)12-8-6-5-7-11(12)2;1-10-7-5-6-8-11(10)12-14(4)13(2,3)9-15-12/h3-12H,1-2H3;3-8H,1-2H3;4-8H,1-3H3;5-8,10H,4,9H2,1-3H3;5-8H,9H2,1-4H3/q5*+1
• InChIKey: ZPGMSNLJAYKXOL-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 54.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.44
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium?

The IUPAC name of 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium (CID 159958143) is 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium.

What is the SMILES notation for 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium?

The canonical SMILES for 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium is CCCn1c[n+](C)c(-c2ccccc2C)n1.COc1cc[n+](C)c(-c2c(C)cc(F)cc2F)c1.Cc1cc(F)ccc1-c1ccc(C(F)(F)F)c[n+]1C.Cc1ccc2ccccc2c1-c1cccc[n+]1C.Cc1ccccc1C1=[N+](C)C(C)(C)CO1.

What is the InChIKey of 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium?

The InChIKey is ZPGMSNLJAYKXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N.C14H12F4N.C14H14F2NO.C13H18N3.C13H18NO/c1-13-10-11-14-7-3-4-8-15(14)17(13)16-9-5-6-12-18(16)2;1-9-7-11(15)4-5-12(9)13-6-3-10(8-19(13)2)14(16,17)18;1-9-6-10(15)7-12(16)14(9)13-8-11(18-3)4-5-17(13)2;1-4-9-16-10-15(3)13(14-16)12-8-6-5-7-11(12)2;1-10-7-5-6-8-11(10)12-14(4)13(2,3)9-15-12/h3-12H,1-2H3;3-8H,1-2H3;4-8H,1-3H3;5-8,10H,4,9H2,1-3H3;5-8H,9H2,1-4H3/q5*+1.

What are the key properties of 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium?

2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium has a molecular weight of 1175.44 g/mol, XLogP of 14.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium is sourced from PubChem (CID 159958143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).