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

C6H4F3NO — CID 130096189

IUPAC6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1ccc(F)c(C(F)F)[nH]1
InChIInChI=1S/C6H4F3NO/c7-3-1-2-4(11)10-5(3)6(8)9/h1-2,6H,(H,10,11)
InChIKeyUNXHSVYQCSSWLA-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.45
Rot. Bonds1

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

6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 130096189) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
PubChem CID130096189
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESO=c1ccc(F)c(C(F)F)[nH]1
InChIInChI=1S/C6H4F3NO/c7-3-1-2-4(11)10-5(3)6(8)9/h1-2,6H,(H,10,11)
InChIKeyUNXHSVYQCSSWLA-UHFFFAOYSA-N
XLogP1.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (CID 130096189) is 6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is O=c1ccc(F)c(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is UNXHSVYQCSSWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-3-1-2-4(11)10-5(3)6(8)9/h1-2,6H,(H,10,11).
What are the key properties of 6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 163.10 g/mol, XLogP of 1.45, 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-1H-pyridin-2-one is sourced from PubChem (CID 130096189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).