2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium

C60H63N6+3 — CID 158962711

About 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium

2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium (PubChem CID 158962711) has the molecular formula C60H63N6+3 and a molecular weight of 868.21 g/mol. Its IUPAC name is 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium.

Molecular Properties

• Compound Name: 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium
• PubChem CID: 158962711
• Molecular Formula: C60H63N6+3
• Molecular Weight: 868.21 g/mol
• Exact Mass: 867.51
• IUPAC Name: 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium
• SMILES: Cc1c[n+](C)c(-c2c(C)ccnc2C)cc1-c1ccccc1.Cc1ccccc1-c1cc[n+](C)c(-c2c(C)ccnc2C)c1.Cc1ccccc1-c1ccc(-c2c(C)ccnc2C)[n+](C)c1
• InChI: InChI=1S/3C20H21N2/c1-14-7-5-6-8-18(14)17-10-12-22(4)19(13-17)20-15(2)9-11-21-16(20)3;1-14-7-5-6-8-18(14)17-9-10-19(22(4)13-17)20-15(2)11-12-21-16(20)3;1-14-10-11-21-16(3)20(14)19-12-18(15(2)13-22(19)4)17-8-6-5-7-9-17/h3*5-13H,1-4H3/q3*+1
• InChIKey: MBRXARJKQZGLQU-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 50.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.21
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium?

The IUPAC name of 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium (CID 158962711) is 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium.

What is the SMILES notation for 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium?

The canonical SMILES for 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium is Cc1c[n+](C)c(-c2c(C)ccnc2C)cc1-c1ccccc1.Cc1ccccc1-c1cc[n+](C)c(-c2c(C)ccnc2C)c1.Cc1ccccc1-c1ccc(-c2c(C)ccnc2C)[n+](C)c1.

What is the InChIKey of 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium?

The InChIKey is MBRXARJKQZGLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H21N2/c1-14-7-5-6-8-18(14)17-10-12-22(4)19(13-17)20-15(2)9-11-21-16(20)3;1-14-7-5-6-8-18(14)17-9-10-19(22(4)13-17)20-15(2)11-12-21-16(20)3;1-14-10-11-21-16(3)20(14)19-12-18(15(2)13-22(19)4)17-8-6-5-7-9-17/h3*5-13H,1-4H3/q3*+1.

What are the key properties of 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium?

2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium has a molecular weight of 868.21 g/mol, XLogP of 12.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium is sourced from PubChem (CID 158962711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).