2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine

C18H14N3+ — CID 102278098

IUPAC2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine
SMILESc1ccc(-[n+]2ccn(-c3cccc4ccccc34)c2)nc1
InChIInChI=1S/C18H14N3/c1-2-8-16-15(6-1)7-5-9-17(16)20-12-13-21(14-20)18-10-3-4-11-19-18/h1-14H/q+1
InChIKeyQWVHUEMGABZIRU-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.30
Rot. Bonds2

About 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine

2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine (PubChem CID 102278098) has the molecular formula C18H14N3+ and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine
PubChem CID102278098
Molecular FormulaC18H14N3+
Molecular Weight272.33 g/mol
Exact Mass272.12
IUPAC Name2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine
SMILESc1ccc(-[n+]2ccn(-c3cccc4ccccc34)c2)nc1
InChIInChI=1S/C18H14N3/c1-2-8-16-15(6-1)7-5-9-17(16)20-12-13-21(14-20)18-10-3-4-11-19-18/h1-14H/q+1
InChIKeyQWVHUEMGABZIRU-UHFFFAOYSA-N
XLogP3.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-ylimidazole;hydrochloride
CID 175383926
1,3-di(pyren-1-yl)imidazol-1-ium chloride
CID 71677120
2-naphthalen-1-yltriazole
CID 57075336
[2-[3-[2,6-di(propan-2-yl)phenyl]imidazol-3-ium-1-yl]phenyl]methanamine;quinoline;chloride
CID 174749807
2-naphthalen-1-yl-1-oxidotriazol-1-ium
CID 125484032
3,11-bis[3-(pyridin-2-ylmethyl)imidazol-3-ium-1-yl]-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 102336311
1-naphthalen-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 71426832
4-amino-1-naphthalen-1-ylpyrimidin-2-one
CID 11701450
3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
CID 91542919
2-dinaphthalen-1-ylphosphorylpyridine
CID 4586108
2-(1-naphthalen-1-yltriazol-4-yl)ethanamine
CID 116641542
iridium;1-naphthalen-1-yl-2-phenylimidazole
CID 58113418

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine?
The IUPAC name of 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine (CID 102278098) is 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine.
What is the SMILES notation for 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine?
The canonical SMILES for 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine is c1ccc(-[n+]2ccn(-c3cccc4ccccc34)c2)nc1.
What is the InChIKey of 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine?
The InChIKey is QWVHUEMGABZIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N3/c1-2-8-16-15(6-1)7-5-9-17(16)20-12-13-21(14-20)18-10-3-4-11-19-18/h1-14H/q+1.
What are the key properties of 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine?
2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine has a molecular weight of 272.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylimidazol-1-ium-1-yl)pyridine is sourced from PubChem (CID 102278098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).