2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one

C8H6F5NO2 — CID 130112028

IUPAC2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1c[nH]c(C(F)F)c(OC(F)(F)F)c1=O
InChIInChI=1S/C8H6F5NO2/c1-3-2-14-4(7(9)10)6(5(3)15)16-8(11,12)13/h2,7H,1H3,(H,14,15)
InChIKeyKPFIBWPSQHVEOF-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.52
Rot. Bonds2

About 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one

2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130112028) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130112028
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1c[nH]c(C(F)F)c(OC(F)(F)F)c1=O
InChIInChI=1S/C8H6F5NO2/c1-3-2-14-4(7(9)10)6(5(3)15)16-8(11,12)13/h2,7H,1H3,(H,14,15)
InChIKeyKPFIBWPSQHVEOF-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-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

5-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134680416
5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 131305685
5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134680234
5-methyl-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131305690
3-methyl-6-(trifluoromethoxy)-1H-quinolin-4-one
CID 71146329
4-(bromomethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111918
5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134667310
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111333
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644
ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate
CID 134665731

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 130112028) is 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is Cc1c[nH]c(C(F)F)c(OC(F)(F)F)c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is KPFIBWPSQHVEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c1-3-2-14-4(7(9)10)6(5(3)15)16-8(11,12)13/h2,7H,1H3,(H,14,15).
What are the key properties of 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 243.13 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130112028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).