3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one

C9H9F3N2O — CID 39871952

IUPAC3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one
SMILESNc1ccc(C(F)(F)F)n(C2CC2)c1=O
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-4-3-6(13)8(15)14(7)5-1-2-5/h3-5H,1-2,13H2
InChIKeyPXDWMDCTBOIMRE-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.78
Rot. Bonds1

About 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one

3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 39871952) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID39871952
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one
SMILESNc1ccc(C(F)(F)F)n(C2CC2)c1=O
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-4-3-6(13)8(15)14(7)5-1-2-5/h3-5H,1-2,13H2
InChIKeyPXDWMDCTBOIMRE-UHFFFAOYSA-N
XLogP1.78
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one (CID 39871952) is 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one is Nc1ccc(C(F)(F)F)n(C2CC2)c1=O.
What is the InChIKey of 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is PXDWMDCTBOIMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)7-4-3-6(13)8(15)14(7)5-1-2-5/h3-5H,1-2,13H2.
What are the key properties of 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one?
3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 218.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 39871952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).