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

C8H6F5NO — CID 130083807

IUPAC3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C8H6F5NO/c1-3-2-4(6(9)10)7(15)14-5(3)8(11,12)13/h2,6H,1H3,(H,14,15)
InChIKeyIRLLNRKRBKJBRG-UHFFFAOYSA-N
MW227.13 g/mol
LogP2.64
Rot. Bonds1

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

3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130083807) has the molecular formula C8H6F5NO and a molecular weight of 227.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130083807
Molecular FormulaC8H6F5NO
Molecular Weight227.13 g/mol
Exact Mass227.04
IUPAC Name3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C8H6F5NO/c1-3-2-4(6(9)10)7(15)14-5(3)8(11,12)13/h2,6H,1H3,(H,14,15)
InChIKeyIRLLNRKRBKJBRG-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

5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083825
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
ethyl 2-[5-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102186
3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130110303
5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130104763
3-(difluoromethyl)-6-iodo-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130082727
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083827
5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133102983
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085050
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (CID 130083807) is 3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)F)c(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is IRLLNRKRBKJBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO/c1-3-2-4(6(9)10)7(15)14-5(3)8(11,12)13/h2,6H,1H3,(H,14,15).
What are the key properties of 3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(difluoromethyl)-5-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 3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130083807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).