4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one

C8H6F5NO2 — CID 118818291

IUPAC4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F5NO2/c1-16-3-2-14-7(15)5(8(11,12)13)4(3)6(9)10/h2,6H,1H3,(H,14,15)
InChIKeyIDOKAFKYZDNRNB-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.34
Rot. Bonds2

About 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one

4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118818291) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118818291
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F5NO2/c1-16-3-2-14-7(15)5(8(11,12)13)4(3)6(9)10/h2,6H,1H3,(H,14,15)
InChIKeyIDOKAFKYZDNRNB-UHFFFAOYSA-N
XLogP2.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)-5-methoxy-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-Hydroxy-4-methoxy-3-(trifluoromethyl)pyridine
CID 118704355
5-(difluoromethoxy)-3-methyl-1H-pyridin-2-one
CID 126730864
3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 53406594
Methyl 2-hydroxy-3-(trifluoromethyl)isonicotinate
CID 118704466
4-(Difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-2-ol
CID 118800638
4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118800768
4-(Difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridin-2-ol
CID 118801175
4-(Difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridin-2-ol
CID 118801357
4-(Difluoromethyl)-5-methoxypyridin-2-ol
CID 118806810
4-(Difluoromethyl)-2-hydroxy-5-methoxynicotinaldehyde
CID 118812225
4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817367
4-(Difluoromethyl)-5-methoxy-3-methylpyridin-2-ol
CID 118817558

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one (CID 118818291) is 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one is COc1c[nH]c(=O)c(C(F)(F)F)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is IDOKAFKYZDNRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c1-16-3-2-14-7(15)5(8(11,12)13)4(3)6(9)10/h2,6H,1H3,(H,14,15).
What are the key properties of 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one?
4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 243.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118818291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).