4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine

C23H20N3O+ — CID 90701883

IUPAC4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine
SMILESCOc1ccccc1-c1cc(-c2ccccn2)nc(-c2cccc[n+]2C)c1
InChIInChI=1S/C23H20N3O/c1-26-14-8-6-11-22(26)21-16-17(18-9-3-4-12-23(18)27-2)15-20(25-21)19-10-5-7-13-24-19/h3-16H,1-2H3/q+1
InChIKeyXLXRSFQTCNGSLN-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.31
Rot. Bonds4

About 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine

4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine (PubChem CID 90701883) has the molecular formula C23H20N3O+ and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine
PubChem CID90701883
Molecular FormulaC23H20N3O+
Molecular Weight354.43 g/mol
Exact Mass354.16
IUPAC Name4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine
SMILESCOc1ccccc1-c1cc(-c2ccccn2)nc(-c2cccc[n+]2C)c1
InChIInChI=1S/C23H20N3O/c1-26-14-8-6-11-22(26)21-16-17(18-9-3-4-12-23(18)27-2)15-20(25-21)19-10-5-7-13-24-19/h3-16H,1-2H3/q+1
InChIKeyXLXRSFQTCNGSLN-UHFFFAOYSA-N
XLogP4.31
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine (CID 90701883) is 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine is COc1ccccc1-c1cc(-c2ccccn2)nc(-c2cccc[n+]2C)c1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine?
The InChIKey is XLXRSFQTCNGSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N3O/c1-26-14-8-6-11-22(26)21-16-17(18-9-3-4-12-23(18)27-2)15-20(25-21)19-10-5-7-13-24-19/h3-16H,1-2H3/q+1.
What are the key properties of 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine?
4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine has a molecular weight of 354.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-(1-methylpyridin-1-ium-2-yl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 90701883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).