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

C10H11F3N2O2 — CID 164558965

IUPAC3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(C2CCOC2)c1=O
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-3-8(14)9(16)15(4-6)7-1-2-17-5-7/h3-4,7H,1-2,5,14H2
InChIKeyDFVCZMFWJGIVGH-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.41
Rot. Bonds1

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

3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164558965) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID164558965
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(C2CCOC2)c1=O
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-3-8(14)9(16)15(4-6)7-1-2-17-5-7/h3-4,7H,1-2,5,14H2
InChIKeyDFVCZMFWJGIVGH-UHFFFAOYSA-N
XLogP1.41
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one (CID 164558965) is 3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one is Nc1cc(C(F)(F)F)cn(C2CCOC2)c1=O.
What is the InChIKey of 3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is DFVCZMFWJGIVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)6-3-8(14)9(16)15(4-6)7-1-2-17-5-7/h3-4,7H,1-2,5,14H2.
What are the key properties of 3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one?
3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 248.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164558965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).