3,6-bis(trifluoromethyl)-1H-pyridin-2-one

C7H3F6NO — CID 131282986

IUPAC3,6-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C7H3F6NO/c8-6(9,10)3-1-2-4(7(11,12)13)14-5(3)15/h1-2H,(H,14,15)
InChIKeyZEIPZABYTOIRHW-UHFFFAOYSA-N
MW231.10 g/mol
LogP2.41
Rot. Bonds

About 3,6-bis(trifluoromethyl)-1H-pyridin-2-one

3,6-bis(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 131282986) has the molecular formula C7H3F6NO and a molecular weight of 231.10 g/mol. Its IUPAC name is 3,6-bis(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,6-bis(trifluoromethyl)-1H-pyridin-2-one
PubChem CID131282986
Molecular FormulaC7H3F6NO
Molecular Weight231.10 g/mol
Exact Mass231.01
IUPAC Name3,6-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C7H3F6NO/c8-6(9,10)3-1-2-4(7(11,12)13)14-5(3)15/h1-2H,(H,14,15)
InChIKeyZEIPZABYTOIRHW-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,6-bis(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-Hydroxy-6-(trifluoromethyl)nicotinamide
CID 2775114
1,2-Dihydro-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 14043509
2(1H)-Pyridinone, 6-methyl-3-(trifluoromethyl)-
CID 20767670
3-Methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 59340901
3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one
CID 87477737
ethane;3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 143933050
6-methyl-3-(trifluoromethyl)-1H-pyridin-1-ium-2-one
CID 163718252
ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 170734395
3-ethynyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 171776557
4-methyl-3,6-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173378771
3,4,6-tris(trifluoromethyl)-1H-pyridin-2-one
CID 173379039
3-methyl-4,6-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173379112

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3,6-bis(trifluoromethyl)-1H-pyridin-2-one (CID 131282986) is 3,6-bis(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,6-bis(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3,6-bis(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 3,6-bis(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZEIPZABYTOIRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO/c8-6(9,10)3-1-2-4(7(11,12)13)14-5(3)15/h1-2H,(H,14,15).
What are the key properties of 3,6-bis(trifluoromethyl)-1H-pyridin-2-one?
3,6-bis(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 231.10 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 131282986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).