2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium

C16H20N+ — CID 18737956

IUPAC2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium
SMILESCc1ccc(-c2c(C)cc(C)c[n+]2C)c(C)c1
InChIInChI=1S/C16H20N/c1-11-6-7-15(13(3)8-11)16-14(4)9-12(2)10-17(16)5/h6-10H,1-5H3/q+1
InChIKeyVYRSMMDUJMNYAP-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.41
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium

2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium (PubChem CID 18737956) has the molecular formula C16H20N+ and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium
PubChem CID18737956
Molecular FormulaC16H20N+
Molecular Weight226.34 g/mol
Exact Mass226.16
IUPAC Name2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium
SMILESCc1ccc(-c2c(C)cc(C)c[n+]2C)c(C)c1
InChIInChI=1S/C16H20N/c1-11-6-7-15(13(3)8-11)16-14(4)9-12(2)10-17(16)5/h6-10H,1-5H3/q+1
InChIKeyVYRSMMDUJMNYAP-UHFFFAOYSA-N
XLogP3.41
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.41
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

1,3-dimethyl-2-[2-methyl-4-(2,2,2-trideuterioethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 157406942
2-(2,4-dimethylphenyl)-1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944473
3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881406
2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium
CID 123891405
2-[3-(2,4-dimethylphenyl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944352
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140677194
1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;bis(1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium);1,5-dimethyl-2-(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 158482785
2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 160763740
[5-(2-deuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane
CID 166010912
1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161145843
2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
CID 171746802
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium?
The IUPAC name of 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium (CID 18737956) is 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium is Cc1ccc(-c2c(C)cc(C)c[n+]2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium?
The InChIKey is VYRSMMDUJMNYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N/c1-11-6-7-15(13(3)8-11)16-14(4)9-12(2)10-17(16)5/h6-10H,1-5H3/q+1.
What are the key properties of 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium?
2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium has a molecular weight of 226.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium is sourced from PubChem (CID 18737956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).