5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one

C7H6F4N2O — CID 146309500

IUPAC5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1cc(F)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C7H6F4N2O/c8-5-1-4(12)2-13(6(5)14)3-7(9,10)11/h1-2H,3,12H2
InChIKeyZPCPYFNIGXADGQ-UHFFFAOYSA-N
MW210.13 g/mol
LogP1.13
Rot. Bonds1

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

5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 146309500) has the molecular formula C7H6F4N2O and a molecular weight of 210.13 g/mol. Its IUPAC name is 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID146309500
Molecular FormulaC7H6F4N2O
Molecular Weight210.13 g/mol
Exact Mass210.04
IUPAC Name5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1cc(F)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C7H6F4N2O/c8-5-1-4(12)2-13(6(5)14)3-7(9,10)11/h1-2H,3,12H2
InChIKeyZPCPYFNIGXADGQ-UHFFFAOYSA-N
XLogP1.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 146309500) is 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one is Nc1cc(F)c(=O)n(CC(F)(F)F)c1.
What is the InChIKey of 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is ZPCPYFNIGXADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O/c8-5-1-4(12)2-13(6(5)14)3-7(9,10)11/h1-2H,3,12H2.
What are the key properties of 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one?
5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 210.13 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 146309500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).