1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium

C21H17N2+ — CID 10574322

IUPAC1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium
SMILESC[n+]1ccccc1-c1cccc2cccc(-c3ccccn3)c12
InChIInChI=1S/C21H17N2/c1-23-15-5-3-13-20(23)18-11-7-9-16-8-6-10-17(21(16)18)19-12-2-4-14-22-19/h2-15H,1H3/q+1
InChIKeyNXISBGNRRBKVJW-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.39
Rot. Bonds2

About 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium

1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium (PubChem CID 10574322) has the molecular formula C21H17N2+ and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium
PubChem CID10574322
Molecular FormulaC21H17N2+
Molecular Weight297.38 g/mol
Exact Mass297.14
IUPAC Name1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium
SMILESC[n+]1ccccc1-c1cccc2cccc(-c3ccccn3)c12
InChIInChI=1S/C21H17N2/c1-23-15-5-3-13-20(23)18-11-7-9-16-8-6-10-17(21(16)18)19-12-2-4-14-22-19/h2-15H,1H3/q+1
InChIKeyNXISBGNRRBKVJW-UHFFFAOYSA-N
XLogP4.39
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.39
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

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CID 146019951
2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine
CID 58471026
1-methyl-2-(3-methyl-5-pyridin-2-ylphenyl)pyridin-1-ium
CID 145489374
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2-[8-(dicyanomethylidene)-2-(1-methylpyridin-1-ium-2-yl)-3-pyridin-2-ylquinoxalin-5-ylidene]propanedinitrile
CID 10099612
8-pyridin-2-ylquinoline
CID 10982041
4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-bis(1-methanidylpyridin-1-ium-2-yl)pyridine
CID 140589217
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760
4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
CID 22968653
2-(11,11-dimethylbenzo[a]fluoren-10-yl)pyridine
CID 168745083
2-(2-methylphenyl)pyridine
CID 144596153
2,4,6-tris(1-methylpyridin-1-ium-2-yl)-1,3,5-triazine triiodide
CID 153315437

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium (CID 10574322) is 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium is C[n+]1ccccc1-c1cccc2cccc(-c3ccccn3)c12.
What is the InChIKey of 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium?
The InChIKey is NXISBGNRRBKVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N2/c1-23-15-5-3-13-20(23)18-11-7-9-16-8-6-10-17(21(16)18)19-12-2-4-14-22-19/h2-15H,1H3/q+1.
What are the key properties of 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium?
1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium has a molecular weight of 297.38 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium is sourced from PubChem (CID 10574322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).