2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one

C8H6F5NO — CID 118825989

IUPAC2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1c(C(F)F)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H6F5NO/c1-3-4(15)2-5(8(11,12)13)14-6(3)7(9)10/h2,7H,1H3,(H,14,15)
InChIKeyHRYLXSKNPSGVGE-UHFFFAOYSA-N
MW227.13 g/mol
LogP2.64
Rot. Bonds1

About 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one

2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118825989) has the molecular formula C8H6F5NO and a molecular weight of 227.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118825989
Molecular FormulaC8H6F5NO
Molecular Weight227.13 g/mol
Exact Mass227.04
IUPAC Name2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1c(C(F)F)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H6F5NO/c1-3-4(15)2-5(8(11,12)13)14-6(3)7(9)10/h2,7H,1H3,(H,14,15)
InChIKeyHRYLXSKNPSGVGE-UHFFFAOYSA-N
XLogP2.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 118826253
2-(difluoromethyl)-3-(hydroxymethyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130085372
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130083350
4-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118817701
2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 119002782
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705
2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde
CID 118832080
5-chloro-6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2773787
2,3-dimethyl-5-(trifluoromethyl)-1H-pyrrole
CID 57182003
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130084707
2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134659569

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one (CID 118825989) is 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one is Cc1c(C(F)F)[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is HRYLXSKNPSGVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO/c1-3-4(15)2-5(8(11,12)13)14-6(3)7(9)10/h2,7H,1H3,(H,14,15).
What are the key properties of 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one?
2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 227.13 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118825989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).