1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium

C21H22N+ — CID 140920519

IUPAC1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
SMILESCc1ccc(-c2cccc(-c3ccccc3C)c2C)[n+](C)c1
InChIInChI=1S/C21H22N/c1-15-12-13-21(22(4)14-15)20-11-7-10-19(17(20)3)18-9-6-5-8-16(18)2/h5-14H,1-4H3/q+1
InChIKeyWDEKKPPXVOOGCQ-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.77
Rot. Bonds2

About 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium

1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium (PubChem CID 140920519) has the molecular formula C21H22N+ and a molecular weight of 288.41 g/mol. Its IUPAC name is 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
PubChem CID140920519
Molecular FormulaC21H22N+
Molecular Weight288.41 g/mol
Exact Mass288.17
IUPAC Name1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
SMILESCc1ccc(-c2cccc(-c3ccccc3C)c2C)[n+](C)c1
InChIInChI=1S/C21H22N/c1-15-12-13-21(22(4)14-15)20-11-7-10-19(17(20)3)18-9-6-5-8-16(18)2/h5-14H,1-4H3/q+1
InChIKeyWDEKKPPXVOOGCQ-UHFFFAOYSA-N
XLogP4.77
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.77
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

1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123794284
2-(2,5-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162184943
1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
CID 123509161
1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium
CID 58240297
1,5-dimethyl-2-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]pyridin-1-ium
CID 167365808
1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium
CID 160656819
5-(4-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2(36),3,5,7,9,11(35),12,14,16(34),17,19,21(33),22(32),23,25,27(31),28-octadecaenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 171043690
2-[3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944282
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026
1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium
CID 158421974
1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 153461108

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium?
The IUPAC name of 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium (CID 140920519) is 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium.
What is the SMILES notation for 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium?
The canonical SMILES for 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium is Cc1ccc(-c2cccc(-c3ccccc3C)c2C)[n+](C)c1.
What is the InChIKey of 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium?
The InChIKey is WDEKKPPXVOOGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N/c1-15-12-13-21(22(4)14-15)20-11-7-10-19(17(20)3)18-9-6-5-8-16(18)2/h5-14H,1-4H3/q+1.
What are the key properties of 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium?
1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium has a molecular weight of 288.41 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 140920519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).