2-(4-methoxyphenyl)-1-oxidopyridin-1-ium

C12H11NO2 — CID 4179821

IUPAC2-(4-methoxyphenyl)-1-oxidopyridin-1-ium
SMILESCOc1ccc(-c2cccc[n+]2[O-])cc1
InChIInChI=1S/C12H11NO2/c1-15-11-7-5-10(6-8-11)12-4-2-3-9-13(12)14/h2-9H,1H3
InChIKeySYJUNMMVQXSSRR-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.00
Rot. Bonds2

About 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium

2-(4-methoxyphenyl)-1-oxidopyridin-1-ium (PubChem CID 4179821) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-oxidopyridin-1-ium
PubChem CID4179821
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(4-methoxyphenyl)-1-oxidopyridin-1-ium
SMILESCOc1ccc(-c2cccc[n+]2[O-])cc1
InChIInChI=1S/C12H11NO2/c1-15-11-7-5-10(6-8-11)12-4-2-3-9-13(12)14/h2-9H,1H3
InChIKeySYJUNMMVQXSSRR-UHFFFAOYSA-N
XLogP2.00
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium?
The IUPAC name of 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium (CID 4179821) is 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium?
The canonical SMILES for 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium is COc1ccc(-c2cccc[n+]2[O-])cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium?
The InChIKey is SYJUNMMVQXSSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-11-7-5-10(6-8-11)12-4-2-3-9-13(12)14/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium?
2-(4-methoxyphenyl)-1-oxidopyridin-1-ium has a molecular weight of 201.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-oxidopyridin-1-ium is sourced from PubChem (CID 4179821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).