1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one

C18H15FN2O3 — CID 122456020

IUPAC1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one
SMILESO=c1cc(OCCOc2ccccn2)ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c19-14-4-6-15(7-5-14)21-10-8-16(13-18(21)22)23-11-12-24-17-3-1-2-9-20-17/h1-10,13H,11-12H2
InChIKeyAQMJDUHDEVTGSH-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.83
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one

1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one (PubChem CID 122456020) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one
PubChem CID122456020
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one
SMILESO=c1cc(OCCOc2ccccn2)ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c19-14-4-6-15(7-5-14)21-10-8-16(13-18(21)22)23-11-12-24-17-3-1-2-9-20-17/h1-10,13H,11-12H2
InChIKeyAQMJDUHDEVTGSH-UHFFFAOYSA-N
XLogP2.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one 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 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one (CID 122456020) is 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one is O=c1cc(OCCOc2ccccn2)ccn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one?
The InChIKey is AQMJDUHDEVTGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-14-4-6-15(7-5-14)21-10-8-16(13-18(21)22)23-11-12-24-17-3-1-2-9-20-17/h1-10,13H,11-12H2.
What are the key properties of 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one?
1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one has a molecular weight of 326.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2-pyridin-2-yloxyethoxy)pyridin-2-one is sourced from PubChem (CID 122456020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).