1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium

C17H22N+ — CID 164797263

IUPAC1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(C)c(C)c(-c2cc(C)cc(C)[n+]2C)c1
InChIInChI=1S/C17H22N/c1-11-7-13(3)15(5)16(9-11)17-10-12(2)8-14(4)18(17)6/h7-10H,1-6H3/q+1
InChIKeySZWDGHZMQDDVCK-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.72
Rot. Bonds1

About 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium

1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium (PubChem CID 164797263) has the molecular formula C17H22N+ and a molecular weight of 240.37 g/mol. Its IUPAC name is 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium
PubChem CID164797263
Molecular FormulaC17H22N+
Molecular Weight240.37 g/mol
Exact Mass240.17
IUPAC Name1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(C)c(C)c(-c2cc(C)cc(C)[n+]2C)c1
InChIInChI=1S/C17H22N/c1-11-7-13(3)15(5)16(9-11)17-10-12(2)8-14(4)18(17)6/h7-10H,1-6H3/q+1
InChIKeySZWDGHZMQDDVCK-UHFFFAOYSA-N
XLogP3.72
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.72
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-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium
CID 157197057
1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium
CID 159222776
2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium)
CID 163471923
4-(4,4-dimethylcyclohexyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 140802297
4-cyclopentyl-1,6-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501264
6-fluoro-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501250
2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 123262871
2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,3,4,6-tetramethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,6-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium
CID 157204968
4,4,5,5,6,6-hexadeuterio-1-methyl-2-(2,3,5-trimethylphenyl)benzo[de]quinolin-1-ium
CID 155642396
6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium
CID 161413854
2,4-dimethyl-6-(2,3,5-trimethylphenyl)phenol
CID 90291954
4-(cyclopentylmethyl)-1,6-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501241

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium?
The IUPAC name of 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium (CID 164797263) is 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium.
What is the SMILES notation for 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium?
The canonical SMILES for 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium is Cc1cc(C)c(C)c(-c2cc(C)cc(C)[n+]2C)c1.
What is the InChIKey of 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium?
The InChIKey is SZWDGHZMQDDVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N/c1-11-7-13(3)15(5)16(9-11)17-10-12(2)8-14(4)18(17)6/h7-10H,1-6H3/q+1.
What are the key properties of 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium?
1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium has a molecular weight of 240.37 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 164797263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).