2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium

C12H10FNO — CID 58158491

IUPAC2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium
SMILESCc1ccc[n+]([O-])c1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO/c1-9-3-2-8-14(15)12(9)10-4-6-11(13)7-5-10/h2-8H,1H3
InChIKeyMIHKVRVHRLBBEY-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.43
Rot. Bonds1

About 2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium

2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium (PubChem CID 58158491) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium
PubChem CID58158491
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium
SMILESCc1ccc[n+]([O-])c1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO/c1-9-3-2-8-14(15)12(9)10-4-6-11(13)7-5-10/h2-8H,1H3
InChIKeyMIHKVRVHRLBBEY-UHFFFAOYSA-N
XLogP2.43
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-3-methyl-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-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium (CID 58158491) is 2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium is Cc1ccc[n+]([O-])c1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium?
The InChIKey is MIHKVRVHRLBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-9-3-2-8-14(15)12(9)10-4-6-11(13)7-5-10/h2-8H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium?
2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium has a molecular weight of 203.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-1-oxidopyridin-1-ium is sourced from PubChem (CID 58158491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).