1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium

C20H22N2+2 — CID 140944469

IUPAC1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium
SMILES[2H]C([2H])([2H])c1cc[n+](C)c(-c2cccc(-c3ccccc3C)[n+]2C)c1
InChIInChI=1S/C20H22N2/c1-15-12-13-21(3)20(14-15)19-11-7-10-18(22(19)4)17-9-6-5-8-16(17)2/h5-14H,1-4H3/q+2/i1D3
InChIKeyCPGLMHPCALHJSZ-FIBGUPNXSA-N
MW293.43 g/mol
LogP3.29
Rot. Bonds3

About 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium

1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium (PubChem CID 140944469) has the molecular formula C20H22N2+2 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium
PubChem CID140944469
Molecular FormulaC20H22N2+2
Molecular Weight293.43 g/mol
Exact Mass293.20
IUPAC Name1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium
SMILES[2H]C([2H])([2H])c1cc[n+](C)c(-c2cccc(-c3ccccc3C)[n+]2C)c1
InChIInChI=1S/C20H22N2/c1-15-12-13-21(3)20(14-15)19-11-7-10-18(22(19)4)17-9-6-5-8-16(17)2/h5-14H,1-4H3/q+2/i1D3
InChIKeyCPGLMHPCALHJSZ-FIBGUPNXSA-N
XLogP3.29
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.29
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

1,2-dimethyl-6-(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-methyl-2-(2-methylphenyl)-4-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium
CID 160656819
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
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
1,4-dimethyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium
CID 158624944
1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161145843
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
1,4-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
1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,6-dimethylpyridin-1-ium)
CID 163681310
trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
CID 166010923
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;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161485827
2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium
CID 123739246
2-deuterio-1-methyl-6-(2-methylphenyl)-3,4-bis(trideuteriomethyl)pyridin-1-ium
CID 153464912

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium (CID 140944469) is 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium is [2H]C([2H])([2H])c1cc[n+](C)c(-c2cccc(-c3ccccc3C)[n+]2C)c1.
What is the InChIKey of 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium?
The InChIKey is CPGLMHPCALHJSZ-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H22N2/c1-15-12-13-21(3)20(14-15)19-11-7-10-18(22(19)4)17-9-6-5-8-16(17)2/h5-14H,1-4H3/q+2/i1D3.
What are the key properties of 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium?
1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium has a molecular weight of 293.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium is sourced from PubChem (CID 140944469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).