4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

C8H10F3N3O2 — CID 134466852

IUPAC4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(N)cc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C8H10F3N3O2/c1-13-6-4(12)3-5(8(9,10)11)14(16-2)7(6)15/h3,13H,12H2,1-2H3
InChIKeyHKWFIUGGLZKFPH-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.55
Rot. Bonds2

About 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 134466852) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
PubChem CID134466852
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(N)cc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C8H10F3N3O2/c1-13-6-4(12)3-5(8(9,10)11)14(16-2)7(6)15/h3,13H,12H2,1-2H3
InChIKeyHKWFIUGGLZKFPH-UHFFFAOYSA-N
XLogP0.55
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (CID 134466852) is 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is CNc1c(N)cc(C(F)(F)F)n(OC)c1=O.
What is the InChIKey of 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is HKWFIUGGLZKFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-13-6-4(12)3-5(8(9,10)11)14(16-2)7(6)15/h3,13H,12H2,1-2H3.
What are the key properties of 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 237.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 134466852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).