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

C9H9F3N2O — CID 105471937

IUPAC4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C2CC2)n(C(F)(F)F)c(=O)c1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)14-7(5-1-2-5)3-6(13)4-8(14)15/h3-5H,1-2,13H2
InChIKeyQZEICGZULDFNSJ-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.78
Rot. Bonds1

About 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one

4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 105471937) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one
PubChem CID105471937
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C2CC2)n(C(F)(F)F)c(=O)c1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)14-7(5-1-2-5)3-6(13)4-8(14)15/h3-5H,1-2,13H2
InChIKeyQZEICGZULDFNSJ-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 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one (CID 105471937) is 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one is Nc1cc(C2CC2)n(C(F)(F)F)c(=O)c1.
What is the InChIKey of 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is QZEICGZULDFNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)14-7(5-1-2-5)3-6(13)4-8(14)15/h3-5H,1-2,13H2.
What are the key properties of 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one?
4-amino-6-cyclopropyl-1-(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 4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105471937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).