1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one

C13H13FN2O2 — CID 82896589

IUPAC1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
SMILESNc1ccc(F)cc1OCCn1ccccc1=O
InChIInChI=1S/C13H13FN2O2/c14-10-4-5-11(15)12(9-10)18-8-7-16-6-2-1-3-13(16)17/h1-6,9H,7-8,15H2
InChIKeyJHVRVIYEJQQSFU-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.65
Rot. Bonds4

About 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one

1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one (PubChem CID 82896589) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
PubChem CID82896589
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
SMILESNc1ccc(F)cc1OCCn1ccccc1=O
InChIInChI=1S/C13H13FN2O2/c14-10-4-5-11(15)12(9-10)18-8-7-16-6-2-1-3-13(16)17/h1-6,9H,7-8,15H2
InChIKeyJHVRVIYEJQQSFU-UHFFFAOYSA-N
XLogP1.65
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 82896590
4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 62376118
1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one
CID 82899377
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
1-[2-[2-(2-hydroxyethyl)phenoxy]ethyl]pyridin-2-one
CID 107713241
1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one
CID 82897267
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107666698
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
CID 80579090
2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile
CID 43289161

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one (CID 82896589) is 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one is Nc1ccc(F)cc1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one?
The InChIKey is JHVRVIYEJQQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-10-4-5-11(15)12(9-10)18-8-7-16-6-2-1-3-13(16)17/h1-6,9H,7-8,15H2.
What are the key properties of 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one?
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one has a molecular weight of 248.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 82896589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).