trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane

C17H24GeN+ — CID 166010836

IUPACtrimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc([Ge](C)(C)C)cc[n+]2C)c(C)c1
InChIInChI=1S/C17H24GeN/c1-13-7-8-16(14(2)11-13)17-12-15(18(3,4)5)9-10-19(17)6/h7-12H,1-6H3/q+1/i1D3
InChIKeyJXNGEPZZKIUFEF-FIBGUPNXSA-N
MW318.01 g/mol
LogP3.34
Rot. Bonds3

About trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane

trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane (PubChem CID 166010836) has the molecular formula C17H24GeN+ and a molecular weight of 318.01 g/mol. Its IUPAC name is trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane
PubChem CID166010836
Molecular FormulaC17H24GeN+
Molecular Weight318.01 g/mol
Exact Mass319.13
IUPAC Nametrimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc([Ge](C)(C)C)cc[n+]2C)c(C)c1
InChIInChI=1S/C17H24GeN/c1-13-7-8-16(14(2)11-13)17-12-15(18(3,4)5)9-10-19(17)6/h7-12H,1-6H3/q+1/i1D3
InChIKeyJXNGEPZZKIUFEF-FIBGUPNXSA-N
XLogP3.34
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.01
LogP ≤ 53.34
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-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 158154791
2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium
CID 123891405
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140677194
4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 176617904
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)pyridin-1-ium
CID 177271015
1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium
CID 159222776
2-[2,4-dimethyl-3-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)phenyl]-1-methyl-4-(trideuteriomethyl)pyridin-1-ium
CID 158754287
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 167346400
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-methyl-2-(2-methylphenyl)-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenylpyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 158140445
2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
CID 171746802
1-methyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenylpyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 161457382

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane?
The IUPAC name of trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane (CID 166010836) is trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane.
What is the SMILES notation for trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane?
The canonical SMILES for trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane is [2H]C([2H])([2H])c1ccc(-c2cc([Ge](C)(C)C)cc[n+]2C)c(C)c1.
What is the InChIKey of trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane?
The InChIKey is JXNGEPZZKIUFEF-FIBGUPNXSA-N. The full InChI is InChI=1S/C17H24GeN/c1-13-7-8-16(14(2)11-13)17-12-15(18(3,4)5)9-10-19(17)6/h7-12H,1-6H3/q+1/i1D3.
What are the key properties of trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane?
trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane has a molecular weight of 318.01 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane is sourced from PubChem (CID 166010836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).