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

C7H6F3NO — CID 130079332

IUPAC3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(=O)[nH]c1F
InChIInChI=1S/C7H6F3NO/c1-3-2-4(5(8)9)7(12)11-6(3)10/h2,5H,1H3,(H,11,12)
InChIKeyWPOOVTSJADOWKF-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.76
Rot. Bonds1

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

3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one (PubChem CID 130079332) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
PubChem CID130079332
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(=O)[nH]c1F
InChIInChI=1S/C7H6F3NO/c1-3-2-4(5(8)9)7(12)11-6(3)10/h2,5H,1H3,(H,11,12)
InChIKeyWPOOVTSJADOWKF-UHFFFAOYSA-N
XLogP1.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807
5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
5-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
CID 130079672
5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083825
3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079270
5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one
CID 130079323
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130109294
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
5-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 130084137
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
CID 130079289

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one (CID 130079332) is 3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one is Cc1cc(C(F)F)c(=O)[nH]c1F.
What is the InChIKey of 3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one?
The InChIKey is WPOOVTSJADOWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-3-2-4(5(8)9)7(12)11-6(3)10/h2,5H,1H3,(H,11,12).
What are the key properties of 3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one?
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one has a molecular weight of 177.12 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130079332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).