ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one

C9H12F3NO — CID 170734395

IUPACethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.Cc1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6F3NO.C2H6/c1-4-2-3-5(6(12)11-4)7(8,9)10;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyLMFJPBVGBWUCQE-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.73
Rot. Bonds

About ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one

ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 170734395) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID170734395
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Nameethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.Cc1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6F3NO.C2H6/c1-4-2-3-5(6(12)11-4)7(8,9)10;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyLMFJPBVGBWUCQE-UHFFFAOYSA-N
XLogP2.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;6-methyl-3-(trifluoromethyl)-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

2(1H)-Pyridinone, 3,6-dimethyl-
CID 579340
(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-enamide
CID 44386608
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
2(1H)-Pyridinone, 6-methyl-3-(trifluoromethyl)-
CID 20767670
1,3-Dimethyl-6-(trifluoromethyl)pyridin-2-one
CID 22890211
3-Methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 59340901
6-(Difluoromethyl)-2-hydroxypyridine-3-carboxamide
CID 59828229
5-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 68505612
3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one
CID 87477737
3-Ethyl-6-(trifluoromethyl)pyridin-2-ol
CID 89003285

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 170734395) is ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is CC.Cc1ccc(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is LMFJPBVGBWUCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C2H6/c1-4-2-3-5(6(12)11-4)7(8,9)10;1-2/h2-3H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 207.19 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 170734395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).