2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium

C15H18N+ — CID 123291859

IUPAC2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium
SMILESCc1cccc(C)c1-c1c(C)ccc[n+]1C
InChIInChI=1S/C15H18N/c1-11-7-5-8-12(2)14(11)15-13(3)9-6-10-16(15)4/h5-10H,1-4H3/q+1
InChIKeyYGUSFQSWVZJZMI-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.10
Rot. Bonds1

About 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium

2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium (PubChem CID 123291859) has the molecular formula C15H18N+ and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium
PubChem CID123291859
Molecular FormulaC15H18N+
Molecular Weight212.32 g/mol
Exact Mass212.14
IUPAC Name2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium
SMILESCc1cccc(C)c1-c1c(C)ccc[n+]1C
InChIInChI=1S/C15H18N/c1-11-7-5-8-12(2)14(11)15-13(3)9-6-10-16(15)4/h5-10H,1-4H3/q+1
InChIKeyYGUSFQSWVZJZMI-UHFFFAOYSA-N
XLogP3.10
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.10
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

1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium
CID 170684386
bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium
CID 162169216
1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
1,2-dimethyl-6-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,3-dimethylphenyl)-1,6-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,6-dimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium)
CID 158794578
3,16-dimethyl-8-thia-3-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 166054292
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
1,6,9-trimethyl-6-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140907972
1,3-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3-dimethylpyridin-1-ium;bis(2-(2,5-dimethylphenyl)-1,3-dimethylpyridin-1-ium);bis(2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium);2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tris(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 161214433
1-methyl-8-(2-methylphenyl)quinolin-1-ium
CID 176621990
1-ethyl-6,9-dimethyl-6-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140907967
3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881406
1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium
CID 172528370

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium?
The IUPAC name of 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium (CID 123291859) is 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium is Cc1cccc(C)c1-c1c(C)ccc[n+]1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium?
The InChIKey is YGUSFQSWVZJZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N/c1-11-7-5-8-12(2)14(11)15-13(3)9-6-10-16(15)4/h5-10H,1-4H3/q+1.
What are the key properties of 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium?
2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium has a molecular weight of 212.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium is sourced from PubChem (CID 123291859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).