5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one

C7H7F3N2O — CID 55297171

IUPAC5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESNC(c1ccc(=O)[nH]c1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(11)4-1-2-5(13)12-3-4/h1-3,6H,11H2,(H,12,13)
InChIKeyQXEPOFQQKSODNT-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.94
Rot. Bonds1

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

5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one (PubChem CID 55297171) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one
PubChem CID55297171
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESNC(c1ccc(=O)[nH]c1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(11)4-1-2-5(13)12-3-4/h1-3,6H,11H2,(H,12,13)
InChIKeyQXEPOFQQKSODNT-UHFFFAOYSA-N
XLogP0.94
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(1-amino-2,2,2-trifluoroethyl)-1H-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

Related Compounds

5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
CID 105435949
2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
CID 82280266
2-(6-oxo-1H-pyridin-3-yl)propanediamide
CID 173126587
5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
CID 55292250
5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
CID 55291962
5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131115674
5-[(1S,2S)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131145454
5-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 2315451
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-1H-pyrrole-2-carbonitrile
CID 130641793
(1R)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine
CID 66510965
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
CID 172849751

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one (CID 55297171) is 5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one is NC(c1ccc(=O)[nH]c1)C(F)(F)F.
What is the InChIKey of 5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The InChIKey is QXEPOFQQKSODNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6(11)4-1-2-5(13)12-3-4/h1-3,6H,11H2,(H,12,13).
What are the key properties of 5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one?
5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 55297171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).