trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane

C17H24GeN+ — CID 166010923

IUPACtrimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
SMILES[2H]C([2H])([2H])c1c([Ge](C)(C)C)ccc(-c2ccccc2C)[n+]1C
InChIInChI=1S/C17H24GeN/c1-13-9-7-8-10-15(13)17-12-11-16(18(3,4)5)14(2)19(17)6/h7-12H,1-6H3/q+1/i2D3
InChIKeyISFLCUAGQAPDSD-BMSJAHLVSA-N
MW318.01 g/mol
LogP3.34
Rot. Bonds3

About trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane

trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane (PubChem CID 166010923) has the molecular formula C17H24GeN+ and a molecular weight of 318.01 g/mol. Its IUPAC name is trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
PubChem CID166010923
Molecular FormulaC17H24GeN+
Molecular Weight318.01 g/mol
Exact Mass319.13
IUPAC Nametrimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
SMILES[2H]C([2H])([2H])c1c([Ge](C)(C)C)ccc(-c2ccccc2C)[n+]1C
InChIInChI=1S/C17H24GeN/c1-13-9-7-8-10-15(13)17-12-11-16(18(3,4)5)14(2)19(17)6/h7-12H,1-6H3/q+1/i2D3
InChIKeyISFLCUAGQAPDSD-BMSJAHLVSA-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

1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium
CID 140944469
1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,2,4,5-tetramethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,2,4-trimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium
CID 158830000
1-methyl-2-(3-methylpentan-3-yl)-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium
CID 164777922
6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;1-methyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]-2,3-bis(trideuteriomethyl)pyridin-1-ium;1-methyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]-2,3-bis(trideuteriomethyl)pyridin-1-ium
CID 158020080
3-methyl-4-(2-methylphenyl)-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene
CID 140861435
2-deuterio-1-methyl-6-(2-methylphenyl)-3,4-bis(trideuteriomethyl)pyridin-1-ium
CID 153464912
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
1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
CID 164777978
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944316
1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane]
CID 153452458
6-(2,5-dimethylphenyl)-1,2-dimethyl-3-(trideuteriomethyl)pyridin-1-ium;6-(2,6-dimethylphenyl)-1,2-dimethyl-3-(trideuteriomethyl)pyridin-1-ium;6-(2,5-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,2,3,5-tetramethyl-6-(2-methylphenyl)pyridin-1-ium);1,2,5-trimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium
CID 160668521

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane?
The IUPAC name of trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane (CID 166010923) is trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane.
What is the SMILES notation for trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane?
The canonical SMILES for trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane is [2H]C([2H])([2H])c1c([Ge](C)(C)C)ccc(-c2ccccc2C)[n+]1C.
What is the InChIKey of trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane?
The InChIKey is ISFLCUAGQAPDSD-BMSJAHLVSA-N. The full InChI is InChI=1S/C17H24GeN/c1-13-9-7-8-10-15(13)17-12-11-16(18(3,4)5)14(2)19(17)6/h7-12H,1-6H3/q+1/i2D3.
What are the key properties of trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane?
trimethyl-[1-methyl-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-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-6-(2-methylphenyl)-2-(trideuteriomethyl)pyridin-1-ium-3-yl]germane is sourced from PubChem (CID 166010923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).