5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one

C13H12ClFN2O2 — CID 82716778

IUPAC5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCOc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H12ClFN2O2/c14-11-3-2-10(7-12(11)15)19-6-5-17-8-9(16)1-4-13(17)18/h1-4,7-8H,5-6,16H2
InChIKeyGSAAGTOIUCDRRJ-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.30
Rot. Bonds4

About 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one

5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one (PubChem CID 82716778) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one
PubChem CID82716778
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCOc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H12ClFN2O2/c14-11-3-2-10(7-12(11)15)19-6-5-17-8-9(16)1-4-13(17)18/h1-4,7-8H,5-6,16H2
InChIKeyGSAAGTOIUCDRRJ-UHFFFAOYSA-N
XLogP2.30
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one (CID 82716778) is 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one is Nc1ccc(=O)n(CCOc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one?
The InChIKey is GSAAGTOIUCDRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c14-11-3-2-10(7-12(11)15)19-6-5-17-8-9(16)1-4-13(17)18/h1-4,7-8H,5-6,16H2.
What are the key properties of 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one?
5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one has a molecular weight of 282.70 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 82716778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).