3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one

C8H9F3N2O — CID 105458340

IUPAC3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C)n(C(F)(F)F)c(=O)c1N
InChIInChI=1S/C8H9F3N2O/c1-4-3-5(2)13(8(9,10)11)7(14)6(4)12/h3H,12H2,1-2H3
InChIKeyJMFAQRZAEPNMEP-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.52
Rot. Bonds

About 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one

3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 105458340) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
PubChem CID105458340
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C)n(C(F)(F)F)c(=O)c1N
InChIInChI=1S/C8H9F3N2O/c1-4-3-5(2)13(8(9,10)11)7(14)6(4)12/h3H,12H2,1-2H3
InChIKeyJMFAQRZAEPNMEP-UHFFFAOYSA-N
XLogP1.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-4,6-dimethyl-1-(trifluoromethyl)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

Related Compounds

3-Amino-4,6-dimethyl-1H-pyridin-2-one
CID 586681
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
CID 84008555
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517869
4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440112
6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 123165121
5-Amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 131511811
6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;propane
CID 160211709
3-Amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 164559844
4,6-Dimethyl-3-(trifluoromethyl)pyridin-2-ol
CID 165595065
4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 166536053
ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 166548467

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one (CID 105458340) is 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one is Cc1cc(C)n(C(F)(F)F)c(=O)c1N.
What is the InChIKey of 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is JMFAQRZAEPNMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-3-5(2)13(8(9,10)11)7(14)6(4)12/h3H,12H2,1-2H3.
What are the key properties of 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105458340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).