3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one

C8H9F3N2O2 — CID 106704856

IUPAC3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one
SMILESNc1cn(COCC(F)(F)F)ccc1=O
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)4-15-5-13-2-1-7(14)6(12)3-13/h1-3H,4-5,12H2
InChIKeyORWCEMAYGMXPAN-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.97
Rot. Bonds3

About 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one

3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one (PubChem CID 106704856) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one
PubChem CID106704856
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one
SMILESNc1cn(COCC(F)(F)F)ccc1=O
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)4-15-5-13-2-1-7(14)6(12)3-13/h1-3H,4-5,12H2
InChIKeyORWCEMAYGMXPAN-UHFFFAOYSA-N
XLogP0.97
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-1-(3-fluoropropyl)-1,4-dihydropyridin-4-one
CID 82989736
3-Amino-1-(3,3,3-trifluoropropyl)-1,4-dihydropyridin-4-one
CID 82990006
3-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-4-one
CID 82991600
3-Amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one
CID 82991601
3-Amino-1-(4,4,4-trifluorobutyl)-1,4-dihydropyridin-4-one
CID 82991617
3-Amino-1-(2,2-difluoroethyl)-1,4-dihydropyridin-4-one
CID 82991866
3-Amino-1-(2,2,2-trifluoroethyl)-1,4-dihydropyridin-4-one
CID 82992304
3-Amino-1-[2-(trifluoromethoxy)ethyl]-1,4-dihydropyridin-4-one
CID 82993013
3-Amino-5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one
CID 106704857
1-(2,2,2-Trifluoroethoxymethyl)pyridin-4-one
CID 106706327
3-Amino-1-(difluoromethyl)-1,4-dihydropyridin-4-one
CID 165465800
3-Amino-1-(4,4-difluorobutyl)-1,4-dihydropyridin-4-one
CID 165472721

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one (CID 106704856) is 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one is Nc1cn(COCC(F)(F)F)ccc1=O.
What is the InChIKey of 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one?
The InChIKey is ORWCEMAYGMXPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)4-15-5-13-2-1-7(14)6(12)3-13/h1-3H,4-5,12H2.
What are the key properties of 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one?
3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one has a molecular weight of 222.17 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2,2-trifluoroethoxymethyl)pyridin-4-one is sourced from PubChem (CID 106704856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).