3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one

C7H7F3N2O — CID 170012444

IUPAC3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1NCC(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-12-5-2-1-3-11-6(5)13/h1-3,12H,4H2,(H,11,13)
InChIKeyIREFCCUNOGEVRW-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.35
Rot. Bonds2

About 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one

3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one (PubChem CID 170012444) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one
PubChem CID170012444
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1NCC(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-12-5-2-1-3-11-6(5)13/h1-3,12H,4H2,(H,11,13)
InChIKeyIREFCCUNOGEVRW-UHFFFAOYSA-N
XLogP1.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one (CID 170012444) is 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one is O=c1[nH]cccc1NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one?
The InChIKey is IREFCCUNOGEVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)4-12-5-2-1-3-11-6(5)13/h1-3,12H,4H2,(H,11,13).
What are the key properties of 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one?
3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one is sourced from PubChem (CID 170012444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).