bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium

C70H80N5+5 — CID 162169216

About bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium

bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium (PubChem CID 162169216) has the molecular formula C70H80N5+5 and a molecular weight of 991.44 g/mol. Its IUPAC name is bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium.

Molecular Properties

• Compound Name: bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium
• PubChem CID: 162169216
• Molecular Formula: C70H80N5+5
• Molecular Weight: 991.44 g/mol
• Exact Mass: 990.64
• IUPAC Name: bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium
• SMILES: Cc1cccc(C)c1-c1cccc[n+]1C.Cc1ccccc1-c1c(C)ccc[n+]1C.Cc1ccccc1-c1c(C)ccc[n+]1C.Cc1ccccc1-c1cccc(C)[n+]1C.Cc1ccccc1-c1cccc(C)[n+]1C
• InChI: InChI=1S/5C14H16N/c1-11-7-6-8-12(2)14(11)13-9-4-5-10-15(13)3;2*1-11-7-4-5-9-13(11)14-12(2)8-6-10-15(14)3;2*1-11-7-4-5-9-13(11)14-10-6-8-12(2)15(14)3/h5*4-10H,1-3H3/q5*+1
• InChIKey: YDVFWSHUYBSVBR-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 19.40 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.44
LogP ≤ 5	13.97
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 bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium?

The IUPAC name of bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium (CID 162169216) is bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium.

What is the SMILES notation for bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium?

The canonical SMILES for bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium is Cc1cccc(C)c1-c1cccc[n+]1C.Cc1ccccc1-c1c(C)ccc[n+]1C.Cc1ccccc1-c1c(C)ccc[n+]1C.Cc1ccccc1-c1cccc(C)[n+]1C.Cc1ccccc1-c1cccc(C)[n+]1C.

What is the InChIKey of bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium?

The InChIKey is YDVFWSHUYBSVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/5C14H16N/c1-11-7-6-8-12(2)14(11)13-9-4-5-10-15(13)3;2*1-11-7-4-5-9-13(11)14-12(2)8-6-10-15(14)3;2*1-11-7-4-5-9-13(11)14-10-6-8-12(2)15(14)3/h5*4-10H,1-3H3/q5*+1.

What are the key properties of bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium?

bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium has a molecular weight of 991.44 g/mol, XLogP of 13.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium is sourced from PubChem (CID 162169216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).