3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one

C6H3F4NO — CID 118835345

IUPAC3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(F)c1C(F)F
InChIInChI=1S/C6H3F4NO/c7-2-1-11-6(12)3(4(2)8)5(9)10/h1,5H,(H,11,12)
InChIKeyCUWAQWNJDDMWJK-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.59
Rot. Bonds1

About 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one

3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one (PubChem CID 118835345) has the molecular formula C6H3F4NO and a molecular weight of 181.09 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one
PubChem CID118835345
Molecular FormulaC6H3F4NO
Molecular Weight181.09 g/mol
Exact Mass181.02
IUPAC Name3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(F)c1C(F)F
InChIInChI=1S/C6H3F4NO/c7-2-1-11-6(12)3(4(2)8)5(9)10/h1,5H,(H,11,12)
InChIKeyCUWAQWNJDDMWJK-UHFFFAOYSA-N
XLogP1.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
5-Iodo-3-(trifluoromethyl)pyridin-2-ol
CID 11522099
3,5-Bis(trifluoromethyl)pyridin-2-ol
CID 14148750
3-Fluoro-4-(trifluoromethyl)pyridin-2-ol
CID 53435090
5-Chloro-3-(trifluoromethyl)pyridin-2-ol
CID 18988867
3,4-Bis(trifluoromethyl)-2-hydroxypyridine
CID 20429828
3,4,5-trifluoro-1H-pyridin-2-one
CID 22133596
4-Chloro-2-hydroxy-3-(trifluoromethyl)pyridine
CID 53945305
3-(Difluoromethyl)pyridin-2(1H)-one
CID 70397555
3,5-difluoro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 90765824
4-methyl-3,5-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173378834
3,4,5-tris(trifluoromethyl)-1H-pyridin-2-one
CID 173378866

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one (CID 118835345) is 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one is O=c1[nH]cc(F)c(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one?
The InChIKey is CUWAQWNJDDMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO/c7-2-1-11-6(12)3(4(2)8)5(9)10/h1,5H,(H,11,12).
What are the key properties of 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one?
3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one has a molecular weight of 181.09 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,5-difluoro-1H-pyridin-2-one is sourced from PubChem (CID 118835345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).