3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one

C7H8F2N2O — CID 118139920

IUPAC3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one
SMILESNc1cc(F)cn(CCF)c1=O
InChIInChI=1S/C7H8F2N2O/c8-1-2-11-4-5(9)3-6(10)7(11)12/h3-4H,1-2,10H2
InChIKeyXAZWLVQIXXPUFO-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.54
Rot. Bonds2

About 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one

3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one (PubChem CID 118139920) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one
PubChem CID118139920
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one
SMILESNc1cc(F)cn(CCF)c1=O
InChIInChI=1S/C7H8F2N2O/c8-1-2-11-4-5(9)3-6(10)7(11)12/h3-4H,1-2,10H2
InChIKeyXAZWLVQIXXPUFO-UHFFFAOYSA-N
XLogP0.54
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one?
The IUPAC name of 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one (CID 118139920) is 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one?
The canonical SMILES for 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one is Nc1cc(F)cn(CCF)c1=O.
What is the InChIKey of 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one?
The InChIKey is XAZWLVQIXXPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-1-2-11-4-5(9)3-6(10)7(11)12/h3-4H,1-2,10H2.
What are the key properties of 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one?
3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one has a molecular weight of 174.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one is sourced from PubChem (CID 118139920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).