3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one

C11H13F3N2O2 — CID 167134417

IUPAC3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(C2CCOCC2)c1=O
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-5-9(15)10(17)16(6-7)8-1-3-18-4-2-8/h5-6,8H,1-4,15H2
InChIKeyTYKJDBJOBUZUIB-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.80
Rot. Bonds1

About 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one

3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 167134417) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID167134417
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(C2CCOCC2)c1=O
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-5-9(15)10(17)16(6-7)8-1-3-18-4-2-8/h5-6,8H,1-4,15H2
InChIKeyTYKJDBJOBUZUIB-UHFFFAOYSA-N
XLogP1.80
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one (CID 167134417) is 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one is Nc1cc(C(F)(F)F)cn(C2CCOCC2)c1=O.
What is the InChIKey of 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is TYKJDBJOBUZUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)7-5-9(15)10(17)16(6-7)8-1-3-18-4-2-8/h5-6,8H,1-4,15H2.
What are the key properties of 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one?
3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 262.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 167134417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).