1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium

C18H17N2+ — CID 176645803

IUPAC1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
SMILESCc1cccc(-c2ccncc2)c1-c1cccc[n+]1C
InChIInChI=1S/C18H17N2/c1-14-6-5-7-16(15-9-11-19-12-10-15)18(14)17-8-3-4-13-20(17)2/h3-13H,1-2H3/q+1
InChIKeyWZOZVSWNFCNRTB-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.55
Rot. Bonds2

About 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium

1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium (PubChem CID 176645803) has the molecular formula C18H17N2+ and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
PubChem CID176645803
Molecular FormulaC18H17N2+
Molecular Weight261.35 g/mol
Exact Mass261.14
IUPAC Name1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
SMILESCc1cccc(-c2ccncc2)c1-c1cccc[n+]1C
InChIInChI=1S/C18H17N2/c1-14-6-5-7-16(15-9-11-19-12-10-15)18(14)17-8-3-4-13-20(17)2/h3-13H,1-2H3/q+1
InChIKeyWZOZVSWNFCNRTB-UHFFFAOYSA-N
XLogP3.55
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
6-[3-methyl-2-(1-methylpyridin-1-ium-2-yl)phenyl]-9H-indeno[2,1-b]pyridine
CID 160701759
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
2-[7-fluoro-3-methyl-6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849988
4-(2-methylphenyl)pyridine;hydroiodide
CID 175234022
2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 176787862
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-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
2-[2-(2-methylphenyl)phenyl]-5-phenylpyridine;2-(3-methyl-2-phenylphenyl)-5-phenylpyridine;4-[4-(3-methyl-2-phenylphenyl)phenyl]pyridine;5-[2-(2-methylphenyl)phenyl]-2-phenylpyridine;5-(3-methyl-2-phenylphenyl)-2-phenylpyridine
CID 161103236

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium (CID 176645803) is 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium is Cc1cccc(-c2ccncc2)c1-c1cccc[n+]1C.
What is the InChIKey of 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium?
The InChIKey is WZOZVSWNFCNRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2/c1-14-6-5-7-16(15-9-11-19-12-10-15)18(14)17-8-3-4-13-20(17)2/h3-13H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium?
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium has a molecular weight of 261.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium is sourced from PubChem (CID 176645803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).