1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one

C13H12ClFN2O — CID 107364758

IUPAC1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c14-10-7-11(15)9-12(8-10)16-4-6-17-5-2-1-3-13(17)18/h1-3,5,7-9,16H,4,6H2
InChIKeyYZOCFQURLSAPPQ-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one

1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one (PubChem CID 107364758) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one
PubChem CID107364758
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c14-10-7-11(15)9-12(8-10)16-4-6-17-5-2-1-3-13(17)18/h1-3,5,7-9,16H,4,6H2
InChIKeyYZOCFQURLSAPPQ-UHFFFAOYSA-N
XLogP2.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one (CID 107364758) is 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one is O=c1ccccn1CCNc1cc(F)cc(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one?
The InChIKey is YZOCFQURLSAPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-10-7-11(15)9-12(8-10)16-4-6-17-5-2-1-3-13(17)18/h1-3,5,7-9,16H,4,6H2.
What are the key properties of 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one?
1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one has a molecular weight of 266.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-5-fluoroanilino)ethyl]pyridin-2-one is sourced from PubChem (CID 107364758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).