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

C96H120N6+6 — CID 160668521

IUPAC6-(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
SMILESCc1ccc(C)c(-c2ccc(C)c(C)[n+]2C)c1.Cc1ccccc1-c1c(C)cc(C)c(C)[n+]1C.Cc1ccccc1-c1c(C)cc(C)c(C)[n+]1C.[2H]C([2H])([2H])c1cc(C)c(-c2ccccc2C)[n+](C)c1C.[2H]C([2H])([2H])c1ccc(-c2c(C)cccc2C)[n+](C)c1C.[2H]C([2H])([2H])c1ccc(-c2cc(C)ccc2C)[n+](C)c1C
InChIInChI=1S/6C16H20N/c2*1-11-6-7-13(3)15(10-11)16-9-8-12(2)14(4)17(16)5;1-11-9-10-15(17(5)14(11)4)16-12(2)7-6-8-13(16)3;3*1-11-8-6-7-9-15(11)16-13(3)10-12(2)14(4)17(16)5/h6*6-10H,1-5H3/q6*+1/i2D3;;1D3;2D3;;
InChIKeyGFLNDSPGIFFMED-HWTFCKLUSA-N
MW1367.11 g/mol
LogP20.47
Rot. Bonds9

About 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

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 (PubChem CID 160668521) has the molecular formula C96H120N6+6 and a molecular weight of 1367.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID160668521
Molecular FormulaC96H120N6+6
Molecular Weight1367.11 g/mol
Exact Mass1366.01
IUPAC Name6-(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
SMILESCc1ccc(C)c(-c2ccc(C)c(C)[n+]2C)c1.Cc1ccccc1-c1c(C)cc(C)c(C)[n+]1C.Cc1ccccc1-c1c(C)cc(C)c(C)[n+]1C.[2H]C([2H])([2H])c1cc(C)c(-c2ccccc2C)[n+](C)c1C.[2H]C([2H])([2H])c1ccc(-c2c(C)cccc2C)[n+](C)c1C.[2H]C([2H])([2H])c1ccc(-c2cc(C)ccc2C)[n+](C)c1C
InChIInChI=1S/6C16H20N/c2*1-11-6-7-13(3)15(10-11)16-9-8-12(2)14(4)17(16)5;1-11-9-10-15(17(5)14(11)4)16-12(2)7-6-8-13(16)3;3*1-11-8-6-7-9-15(11)16-13(3)10-12(2)14(4)17(16)5/h6*6-10H,1-5H3/q6*+1/i2D3;;1D3;2D3;;
InChIKeyGFLNDSPGIFFMED-HWTFCKLUSA-N
XLogP20.47
TPSA23.28 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001367.11
LogP ≤ 520.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-(2,3-dimethylphenyl)-1-methyl-2,3-bis(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium);6-(2,3-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-1,2,3-trimethylpyridin-1-ium;bis(1,3,4,6-tetramethyl-2-(2-methylphenyl)pyridin-1-ium);1,2,4-trimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 158893787
2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium
CID 168843060
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
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
1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;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);2-(2,6-dimethylphenyl)-1,6-dimethylpyridin-1-ium
CID 158650265
2-(2,5-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162184943
1,2-dimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;1,2,3-trimethyl-6-(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 163765512
2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium)
CID 163471923
2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium
CID 158903350
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-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;1-methyl-2-(2,3,4-trimethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2-methylphenyl)pyridin-1-ium;1,2,4-trimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium;1,2,5-trimethyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium
CID 158922919
1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 160616444

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C)c(-c2ccc(C)c(C)[n+]2C)c1.Cc1ccccc1-c1c(C)cc(C)c(C)[n+]1C.Cc1ccccc1-c1c(C)cc(C)c(C)[n+]1C.[2H]C([2H])([2H])c1cc(C)c(-c2ccccc2C)[n+](C)c1C.[2H]C([2H])([2H])c1ccc(-c2c(C)cccc2C)[n+](C)c1C.[2H]C([2H])([2H])c1ccc(-c2cc(C)ccc2C)[n+](C)c1C.
What is the InChIKey of 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?
The InChIKey is GFLNDSPGIFFMED-HWTFCKLUSA-N. The full InChI is InChI=1S/6C16H20N/c2*1-11-6-7-13(3)15(10-11)16-9-8-12(2)14(4)17(16)5;1-11-9-10-15(17(5)14(11)4)16-12(2)7-6-8-13(16)3;3*1-11-8-6-7-9-15(11)16-13(3)10-12(2)14(4)17(16)5/h6*6-10H,1-5H3/q6*+1/i2D3;;1D3;2D3;;.
What are the key properties of 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?
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 has a molecular weight of 1367.11 g/mol, XLogP of 20.47, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160668521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).