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

C8H6F5NO — CID 130083825

IUPAC5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H6F5NO/c1-3-2-4(6(9)10)5(8(11,12)13)14-7(3)15/h2,6H,1H3,(H,14,15)
InChIKeyDGBVKLAVKHSKSG-UHFFFAOYSA-N
MW227.13 g/mol
LogP2.64
Rot. Bonds1

About 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one

5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130083825) has the molecular formula C8H6F5NO and a molecular weight of 227.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130083825
Molecular FormulaC8H6F5NO
Molecular Weight227.13 g/mol
Exact Mass227.04
IUPAC Name5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H6F5NO/c1-3-2-4(6(9)10)5(8(11,12)13)14-7(3)15/h2,6H,1H3,(H,14,15)
InChIKeyDGBVKLAVKHSKSG-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

3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807
3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130110303
ethyl 2-[5-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102186
5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133102983
3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 130083953
3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile
CID 130076475
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083827
6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
CID 130079289
6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane
CID 169256471
5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
CID 58327584

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (CID 130083825) is 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)F)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is DGBVKLAVKHSKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO/c1-3-2-4(6(9)10)5(8(11,12)13)14-7(3)15/h2,6H,1H3,(H,14,15).
What are the key properties of 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-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 5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130083825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).