2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium

C71H77F5N5+5 — CID 160763740

About 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium

2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 160763740) has the molecular formula C71H77F5N5+5 and a molecular weight of 1095.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
• PubChem CID: 160763740
• Molecular Formula: C71H77F5N5+5
• Molecular Weight: 1095.42 g/mol
• Exact Mass: 1094.61
• IUPAC Name: 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
• SMILES: Cc1ccc(-c2c(C)cc(F)c[n+]2C)c(C)c1.Cc1ccc(-c2cc(F)cc[n+]2C)c(C)c1.Cc1ccc(-c2ccc(F)c(C)[n+]2C)c(C)c1.Cc1ccccc1-c1c(C)cc(F)c[n+]1C.Cc1ccccc1-c1cc(F)cc[n+]1C
• InChI: InChI=1S/2C15H17FN.2C14H15FN.C13H13FN/c1-10-5-6-14(11(2)7-10)15-12(3)8-13(16)9-17(15)4;1-10-5-6-13(11(2)9-10)15-8-7-14(16)12(3)17(15)4;1-10-4-5-13(11(2)8-10)14-9-12(15)6-7-16(14)3;1-10-6-4-5-7-13(10)14-11(2)8-12(15)9-16(14)3;1-10-5-3-4-6-12(10)13-9-11(14)7-8-15(13)2/h2*5-9H,1-4H3;2*4-9H,1-3H3;3-9H,1-2H3/q5*+1
• InChIKey: VKFDWGYEWLQJFG-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 19.40 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.42
LogP ≤ 5	14.98
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)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium?

The IUPAC name of 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium (CID 160763740) is 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium.

What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium?

The canonical SMILES for 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium is Cc1ccc(-c2c(C)cc(F)c[n+]2C)c(C)c1.Cc1ccc(-c2cc(F)cc[n+]2C)c(C)c1.Cc1ccc(-c2ccc(F)c(C)[n+]2C)c(C)c1.Cc1ccccc1-c1c(C)cc(F)c[n+]1C.Cc1ccccc1-c1cc(F)cc[n+]1C.

What is the InChIKey of 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium?

The InChIKey is VKFDWGYEWLQJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17FN.2C14H15FN.C13H13FN/c1-10-5-6-14(11(2)7-10)15-12(3)8-13(16)9-17(15)4;1-10-5-6-13(11(2)9-10)15-8-7-14(16)12(3)17(15)4;1-10-4-5-13(11(2)8-10)14-9-12(15)6-7-16(14)3;1-10-6-4-5-7-13(10)14-11(2)8-12(15)9-16(14)3;1-10-5-3-4-6-12(10)13-9-11(14)7-8-15(13)2/h2*5-9H,1-4H3;2*4-9H,1-3H3;3-9H,1-2H3/q5*+1.

What are the key properties of 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium?

2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 1095.42 g/mol, XLogP of 14.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 160763740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).