2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium

C75H85F5N12+8 — CID 158118537

About 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium

2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium (PubChem CID 158118537) has the molecular formula C75H85F5N12+8 and a molecular weight of 1249.58 g/mol. Its IUPAC name is 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium.

Molecular Properties

• Compound Name: 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium
• PubChem CID: 158118537
• Molecular Formula: C75H85F5N12+8
• Molecular Weight: 1249.58 g/mol
• Exact Mass: 1248.69
• IUPAC Name: 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium
• SMILES: Cc1c(-c2c[n+](C)cn2C)c(F)cc(F)c1-c1cccc[n+]1C.Cc1c(-c2c[n+](C)cn2C)cc(C(F)(F)F)cc1-c1cccc[n+]1C.Cc1c(-c2cc[n+](C)n2C)cccc1-c1cccc[n+]1C.Cc1cc(C)c(-c2cccc[n+]2C)c(C)c1-c1c[n+](C)cn1C
• InChI: InChI=1S/C20H25N3.C19H20F3N3.C18H19F2N3.C18H21N3/c1-14-11-15(2)20(18-12-21(4)13-23(18)6)16(3)19(14)17-9-7-8-10-22(17)5;1-13-15(17-7-5-6-8-24(17)3)9-14(19(20,21)22)10-16(13)18-11-23(2)12-25(18)4;1-12-17(15-7-5-6-8-22(15)3)13(19)9-14(20)18(12)16-10-21(2)11-23(16)4;1-14-15(17-10-5-6-12-19(17)2)8-7-9-16(14)18-11-13-20(3)21(18)4/h7-13H,1-6H3;5-12H,1-4H3;5-11H,1-4H3;5-13H,1-4H3/q4*+2
• InChIKey: PDADKAXTWNZLEP-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 50.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1249.58
LogP ≤ 5	11.18
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-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium?

The IUPAC name of 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium (CID 158118537) is 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium.

What is the SMILES notation for 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium?

The canonical SMILES for 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium is Cc1c(-c2c[n+](C)cn2C)c(F)cc(F)c1-c1cccc[n+]1C.Cc1c(-c2c[n+](C)cn2C)cc(C(F)(F)F)cc1-c1cccc[n+]1C.Cc1c(-c2cc[n+](C)n2C)cccc1-c1cccc[n+]1C.Cc1cc(C)c(-c2cccc[n+]2C)c(C)c1-c1c[n+](C)cn1C.

What is the InChIKey of 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium?

The InChIKey is PDADKAXTWNZLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3.C19H20F3N3.C18H19F2N3.C18H21N3/c1-14-11-15(2)20(18-12-21(4)13-23(18)6)16(3)19(14)17-9-7-8-10-22(17)5;1-13-15(17-7-5-6-8-24(17)3)9-14(19(20,21)22)10-16(13)18-11-23(2)12-25(18)4;1-12-17(15-7-5-6-8-22(15)3)13(19)9-14(20)18(12)16-10-21(2)11-23(16)4;1-14-15(17-10-5-6-12-19(17)2)8-7-9-16(14)18-11-13-20(3)21(18)4/h7-13H,1-6H3;5-12H,1-4H3;5-11H,1-4H3;5-13H,1-4H3/q4*+2.

What are the key properties of 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium?

2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium has a molecular weight of 1249.58 g/mol, XLogP of 11.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium is sourced from PubChem (CID 158118537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).