4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one

C7H7F3N2O — CID 70237327

IUPAC4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1ccn(CC(F)(F)F)c(=O)c1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-12-2-1-5(11)3-6(12)13/h1-3H,4,11H2
InChIKeyBXVGEGBDMYNLKC-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.99
Rot. Bonds1

About 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one

4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 70237327) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID70237327
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1ccn(CC(F)(F)F)c(=O)c1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-12-2-1-5(11)3-6(12)13/h1-3H,4,11H2
InChIKeyBXVGEGBDMYNLKC-UHFFFAOYSA-N
XLogP0.99
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 70237327) is 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one is Nc1ccn(CC(F)(F)F)c(=O)c1.
What is the InChIKey of 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is BXVGEGBDMYNLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)4-12-2-1-5(11)3-6(12)13/h1-3H,4,11H2.
What are the key properties of 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one?
4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 70237327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).