3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium

C21H22N+ — CID 140881406

IUPAC3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2ccc[n+](C)c2-c2ccccc2C)c(C)c1
InChIInChI=1S/C21H22N/c1-15-11-12-18(17(3)14-15)20-10-7-13-22(4)21(20)19-9-6-5-8-16(19)2/h5-14H,1-4H3/q+1
InChIKeyUUBJEQBHSDSYOJ-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.77
Rot. Bonds2

About 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium

3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 140881406) has the molecular formula C21H22N+ and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
PubChem CID140881406
Molecular FormulaC21H22N+
Molecular Weight288.41 g/mol
Exact Mass288.17
IUPAC Name3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2ccc[n+](C)c2-c2ccccc2C)c(C)c1
InChIInChI=1S/C21H22N/c1-15-11-12-18(17(3)14-15)20-10-7-13-22(4)21(20)19-9-6-5-8-16(19)2/h5-14H,1-4H3/q+1
InChIKeyUUBJEQBHSDSYOJ-UHFFFAOYSA-N
XLogP4.77
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.77
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-dimethylphenyl)-1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944473
1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium)
CID 159170568
2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium
CID 18737956
1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 158482785
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393
1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 161214433
4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
CID 161128018
1-methyl-8-(2-methylphenyl)quinolin-1-ium
CID 176621990
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-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;1-methyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 161493951
1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 160685965
3-deuterio-2,6-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 155638697

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium (CID 140881406) is 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium is Cc1ccc(-c2ccc[n+](C)c2-c2ccccc2C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is UUBJEQBHSDSYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N/c1-15-11-12-18(17(3)14-15)20-10-7-13-22(4)21(20)19-9-6-5-8-16(19)2/h5-14H,1-4H3/q+1.
What are the key properties of 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 288.41 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 140881406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).