5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one

C7H7F3N2O — CID 146309484

IUPAC5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
SMILESNc1cc(F)c(=O)n(CC(F)F)c1
InChIInChI=1S/C7H7F3N2O/c8-5-1-4(11)2-12(7(5)13)3-6(9)10/h1-2,6H,3,11H2
InChIKeyAZSFYXLRINAVHV-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.83
Rot. Bonds2

About 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one

5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one (PubChem CID 146309484) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
PubChem CID146309484
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
SMILESNc1cc(F)c(=O)n(CC(F)F)c1
InChIInChI=1S/C7H7F3N2O/c8-5-1-4(11)2-12(7(5)13)3-6(9)10/h1-2,6H,3,11H2
InChIKeyAZSFYXLRINAVHV-UHFFFAOYSA-N
XLogP0.83
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one?
The IUPAC name of 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one (CID 146309484) is 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one.
What is the SMILES notation for 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one?
The canonical SMILES for 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one is Nc1cc(F)c(=O)n(CC(F)F)c1.
What is the InChIKey of 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one?
The InChIKey is AZSFYXLRINAVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-5-1-4(11)2-12(7(5)13)3-6(9)10/h1-2,6H,3,11H2.
What are the key properties of 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one?
5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one is sourced from PubChem (CID 146309484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).