2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium

C17H22N+ — CID 168843060

IUPAC2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium
SMILESCc1ccc(C)c(-c2c(C)cc(C)c(C)[n+]2C)c1
InChIInChI=1S/C17H22N/c1-11-7-8-12(2)16(9-11)17-14(4)10-13(3)15(5)18(17)6/h7-10H,1-6H3/q+1
InChIKeyZMZJULXMEPDIPR-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.72
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium

2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium (PubChem CID 168843060) has the molecular formula C17H22N+ and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium
PubChem CID168843060
Molecular FormulaC17H22N+
Molecular Weight240.37 g/mol
Exact Mass240.17
IUPAC Name2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium
SMILESCc1ccc(C)c(-c2c(C)cc(C)c(C)[n+]2C)c1
InChIInChI=1S/C17H22N/c1-11-7-8-12(2)16(9-11)17-14(4)10-13(3)15(5)18(17)6/h7-10H,1-6H3/q+1
InChIKeyZMZJULXMEPDIPR-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium?
The IUPAC name of 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium (CID 168843060) is 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium is Cc1ccc(C)c(-c2c(C)cc(C)c(C)[n+]2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium?
The InChIKey is ZMZJULXMEPDIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N/c1-11-7-8-12(2)16(9-11)17-14(4)10-13(3)15(5)18(17)6/h7-10H,1-6H3/q+1.
What are the key properties of 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium?
2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-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 2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium is sourced from PubChem (CID 168843060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).