3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one

C8H8F3NO2 — CID 131168157

IUPAC3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(OC(F)(F)F)[nH]c(=O)c1C
InChIInChI=1S/C8H8F3NO2/c1-4-3-6(14-8(9,10)11)12-7(13)5(4)2/h3H,1-2H3,(H,12,13)
InChIKeyANFIYDYPUZVFJT-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.89
Rot. Bonds1

About 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one

3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 131168157) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID131168157
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(OC(F)(F)F)[nH]c(=O)c1C
InChIInChI=1S/C8H8F3NO2/c1-4-3-6(14-8(9,10)11)12-7(13)5(4)2/h3H,1-2H3,(H,12,13)
InChIKeyANFIYDYPUZVFJT-UHFFFAOYSA-N
XLogP1.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-6-(trifluoromethoxy)-1H-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-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111059
4-methyl-2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134679128
3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134677601
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705
6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134658717
3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134658855
2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112222
3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131399939
4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
3-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092709
ethyl 2-[3-nitro-2-oxo-6-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
CID 134660296
6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112200

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 131168157) is 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one is Cc1cc(OC(F)(F)F)[nH]c(=O)c1C.
What is the InChIKey of 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is ANFIYDYPUZVFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-4-3-6(14-8(9,10)11)12-7(13)5(4)2/h3H,1-2H3,(H,12,13).
What are the key properties of 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 207.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 131168157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).