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

C90H108N6+6 — CID 158650265

IUPAC1,2-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
SMILESCc1ccc(-c2cccc(C)[n+]2C)c(C)c1.Cc1ccc(C)c(-c2cccc(C)[n+]2C)c1.Cc1ccc(C)c(-c2cccc(C)[n+]2C)c1.Cc1cccc(C)c1-c1cccc(C)[n+]1C.[2H]C([2H])([2H])c1ccc(-c2cccc(C)[n+]2C)c(C)c1.[2H]C([2H])([2H])c1cccc(-c2cccc(C)[n+]2C)c1C
InChIInChI=1S/6C15H18N/c1-11-7-5-9-14(13(11)3)15-10-6-8-12(2)16(15)4;1-11-7-5-8-12(2)15(11)14-10-6-9-13(3)16(14)4;2*1-11-8-9-14(12(2)10-11)15-7-5-6-13(3)16(15)4;2*1-11-8-9-12(2)14(10-11)15-7-5-6-13(3)16(15)4/h6*5-10H,1-4H3/q6*+1/i1D3;;1D3;;;
InChIKeyMITLRJBDFIEJRQ-GTYSBILASA-N
MW1279.93 g/mol
LogP18.62
Rot. Bonds8

About 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

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 (PubChem CID 158650265) has the molecular formula C90H108N6+6 and a molecular weight of 1279.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2-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
PubChem CID158650265
Molecular FormulaC90H108N6+6
Molecular Weight1279.93 g/mol
Exact Mass1278.90
IUPAC Name1,2-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
SMILESCc1ccc(-c2cccc(C)[n+]2C)c(C)c1.Cc1ccc(C)c(-c2cccc(C)[n+]2C)c1.Cc1ccc(C)c(-c2cccc(C)[n+]2C)c1.Cc1cccc(C)c1-c1cccc(C)[n+]1C.[2H]C([2H])([2H])c1ccc(-c2cccc(C)[n+]2C)c(C)c1.[2H]C([2H])([2H])c1cccc(-c2cccc(C)[n+]2C)c1C
InChIInChI=1S/6C15H18N/c1-11-7-5-9-14(13(11)3)15-10-6-8-12(2)16(15)4;1-11-7-5-8-12(2)15(11)14-10-6-9-13(3)16(14)4;2*1-11-8-9-14(12(2)10-11)15-7-5-6-13(3)16(15)4;2*1-11-8-9-12(2)14(10-11)15-7-5-6-13(3)16(15)4/h6*5-10H,1-4H3/q6*+1/i1D3;;1D3;;;
InChIKeyMITLRJBDFIEJRQ-GTYSBILASA-N
XLogP18.62
TPSA23.28 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.93
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)
CID 158794578
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
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
1,4-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
1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,3-dimethylphenyl)-1,6-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;bis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium)
CID 161103091
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
1,3-dimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,3-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium
CID 159751112
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-(2,5-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
2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium)
CID 163471923

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cccc(C)[n+]2C)c(C)c1.Cc1ccc(C)c(-c2cccc(C)[n+]2C)c1.Cc1ccc(C)c(-c2cccc(C)[n+]2C)c1.Cc1cccc(C)c1-c1cccc(C)[n+]1C.[2H]C([2H])([2H])c1ccc(-c2cccc(C)[n+]2C)c(C)c1.[2H]C([2H])([2H])c1cccc(-c2cccc(C)[n+]2C)c1C.
What is the InChIKey of 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?
The InChIKey is MITLRJBDFIEJRQ-GTYSBILASA-N. The full InChI is InChI=1S/6C15H18N/c1-11-7-5-9-14(13(11)3)15-10-6-8-12(2)16(15)4;1-11-7-5-8-12(2)15(11)14-10-6-9-13(3)16(14)4;2*1-11-8-9-14(12(2)10-11)15-7-5-6-13(3)16(15)4;2*1-11-8-9-12(2)14(10-11)15-7-5-6-13(3)16(15)4/h6*5-10H,1-4H3/q6*+1/i1D3;;1D3;;;.
What are the key properties of 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?
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 has a molecular weight of 1279.93 g/mol, XLogP of 18.62, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158650265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).