5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one

C10H14F2N2O2 — CID 174170101

IUPAC5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one
SMILESCC(C)COc1cc(N)cn(C(F)F)c1=O
InChIInChI=1S/C10H14F2N2O2/c1-6(2)5-16-8-3-7(13)4-14(9(8)15)10(11)12/h3-4,6,10H,5,13H2,1-2H3
InChIKeyOJTFKHWZFVBLKD-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.86
Rot. Bonds4

About 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one

5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one (PubChem CID 174170101) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one
PubChem CID174170101
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one
SMILESCC(C)COc1cc(N)cn(C(F)F)c1=O
InChIInChI=1S/C10H14F2N2O2/c1-6(2)5-16-8-3-7(13)4-14(9(8)15)10(11)12/h3-4,6,10H,5,13H2,1-2H3
InChIKeyOJTFKHWZFVBLKD-UHFFFAOYSA-N
XLogP1.86
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one?
The IUPAC name of 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one (CID 174170101) is 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one?
The canonical SMILES for 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one is CC(C)COc1cc(N)cn(C(F)F)c1=O.
What is the InChIKey of 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one?
The InChIKey is OJTFKHWZFVBLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-6(2)5-16-8-3-7(13)4-14(9(8)15)10(11)12/h3-4,6,10H,5,13H2,1-2H3.
What are the key properties of 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one?
5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one has a molecular weight of 232.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one is sourced from PubChem (CID 174170101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).