1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium

C19H19N2+ — CID 169055448

IUPAC1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
SMILESCc1ccccc1-c1cc(-c2ccncc2)cc(C)[n+]1C
InChIInChI=1S/C19H19N2/c1-14-6-4-5-7-18(14)19-13-17(12-15(2)21(19)3)16-8-10-20-11-9-16/h4-13H,1-3H3/q+1
InChIKeyHXBAHLNDMNANNI-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.86
Rot. Bonds2

About 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium

1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium (PubChem CID 169055448) has the molecular formula C19H19N2+ and a molecular weight of 275.38 g/mol. Its IUPAC name is 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
PubChem CID169055448
Molecular FormulaC19H19N2+
Molecular Weight275.38 g/mol
Exact Mass275.15
IUPAC Name1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
SMILESCc1ccccc1-c1cc(-c2ccncc2)cc(C)[n+]1C
InChIInChI=1S/C19H19N2/c1-14-6-4-5-7-18(14)19-13-17(12-15(2)21(19)3)16-8-10-20-11-9-16/h4-13H,1-3H3/q+1
InChIKeyHXBAHLNDMNANNI-UHFFFAOYSA-N
XLogP3.86
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
4-(2-methylphenyl)pyridine;hydroiodide
CID 175234022
1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944316
4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
CID 161128018
4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium
CID 170244640
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium
CID 169055461
4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777994
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
4-[3,5-bis(3-deuterio-2,4-dimethylpentan-3-yl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777935
4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
CID 160888314
1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium
CID 157199788

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium?
The IUPAC name of 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium (CID 169055448) is 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium.
What is the SMILES notation for 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium?
The canonical SMILES for 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium is Cc1ccccc1-c1cc(-c2ccncc2)cc(C)[n+]1C.
What is the InChIKey of 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium?
The InChIKey is HXBAHLNDMNANNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2/c1-14-6-4-5-7-18(14)19-13-17(12-15(2)21(19)3)16-8-10-20-11-9-16/h4-13H,1-3H3/q+1.
What are the key properties of 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium?
1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium has a molecular weight of 275.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium is sourced from PubChem (CID 169055448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).