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

C7H6F3NO — CID 130079289

IUPAC6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
SMILESCc1cc(F)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H6F3NO/c1-3-2-4(8)5(6(9)10)11-7(3)12/h2,6H,1H3,(H,11,12)
InChIKeyHDJZRCOYHRTMRE-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.76
Rot. Bonds1

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

6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one (PubChem CID 130079289) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
PubChem CID130079289
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
SMILESCc1cc(F)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H6F3NO/c1-3-2-4(8)5(6(9)10)11-7(3)12/h2,6H,1H3,(H,11,12)
InChIKeyHDJZRCOYHRTMRE-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

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Related Compounds

6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118837355
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one
CID 118837451
6-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
CID 119013990
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118814881
3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 130083953
3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
CID 58327584
5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083825
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130096189
ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate
CID 133106232
6-(difluoromethyl)-4-methyl-2-oxo-1H-pyridine-3-sulfonamide
CID 130084130

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one (CID 130079289) is 6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one is Cc1cc(F)c(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one?
The InChIKey is HDJZRCOYHRTMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-3-2-4(8)5(6(9)10)11-7(3)12/h2,6H,1H3,(H,11,12).
What are the key properties of 6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one?
6-(difluoromethyl)-5-fluoro-3-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 6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130079289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).