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

C19H16FNO3 — CID 122455992

IUPAC1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one
SMILESO=c1cc(OCCOc2ccccc2)ccn1-c1ccccc1F
InChIInChI=1S/C19H16FNO3/c20-17-8-4-5-9-18(17)21-11-10-16(14-19(21)22)24-13-12-23-15-6-2-1-3-7-15/h1-11,14H,12-13H2
InChIKeyCKXRWBBXBQHBNW-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.43
Rot. Bonds6

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

1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one (PubChem CID 122455992) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one
PubChem CID122455992
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one
SMILESO=c1cc(OCCOc2ccccc2)ccn1-c1ccccc1F
InChIInChI=1S/C19H16FNO3/c20-17-8-4-5-9-18(17)21-11-10-16(14-19(21)22)24-13-12-23-15-6-2-1-3-7-15/h1-11,14H,12-13H2
InChIKeyCKXRWBBXBQHBNW-UHFFFAOYSA-N
XLogP3.43
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)-4-(2-phenoxyethoxy)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-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one (CID 122455992) is 1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one is O=c1cc(OCCOc2ccccc2)ccn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one?
The InChIKey is CKXRWBBXBQHBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c20-17-8-4-5-9-18(17)21-11-10-16(14-19(21)22)24-13-12-23-15-6-2-1-3-7-15/h1-11,14H,12-13H2.
What are the key properties of 1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one?
1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one has a molecular weight of 325.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(2-phenoxyethoxy)pyridin-2-one is sourced from PubChem (CID 122455992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).