2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium

C15H18N+ — CID 123891405

IUPAC2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium
SMILESCc1ccc(-c2cc(C)cc[n+]2C)c(C)c1
InChIInChI=1S/C15H18N/c1-11-5-6-14(13(3)9-11)15-10-12(2)7-8-16(15)4/h5-10H,1-4H3/q+1
InChIKeySAUMXPMLRXYLHT-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.10
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium

2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium (PubChem CID 123891405) has the molecular formula C15H18N+ and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium
PubChem CID123891405
Molecular FormulaC15H18N+
Molecular Weight212.32 g/mol
Exact Mass212.14
IUPAC Name2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium
SMILESCc1ccc(-c2cc(C)cc[n+]2C)c(C)c1
InChIInChI=1S/C15H18N/c1-11-5-6-14(13(3)9-11)15-10-12(2)7-8-16(15)4/h5-10H,1-4H3/q+1
InChIKeySAUMXPMLRXYLHT-UHFFFAOYSA-N
XLogP3.10
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium
CID 140920741
2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
CID 171746802
trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane
CID 166010836
2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1-methyl-4-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium
CID 159163850
4-tert-butyl-2-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium;chloromethane;2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 157248189
2-[2,4-dimethyl-3-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)phenyl]-1-methyl-4-(trideuteriomethyl)pyridin-1-ium
CID 158754287
1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036743
1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4-dimethylpyridin-1-ium);bis(1,3,4-trimethyl-2-(2-methylphenyl)pyridin-1-ium)
CID 162081982
2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium
CID 167357480
4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 176617904
2-(2,4-dimethylphenyl)-1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944473
2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
CID 153461119

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium?
The IUPAC name of 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium (CID 123891405) is 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium is Cc1ccc(-c2cc(C)cc[n+]2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium?
The InChIKey is SAUMXPMLRXYLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N/c1-11-5-6-14(13(3)9-11)15-10-12(2)7-8-16(15)4/h5-10H,1-4H3/q+1.
What are the key properties of 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium?
2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium has a molecular weight of 212.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium is sourced from PubChem (CID 123891405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).