3-(difluoromethoxy)-1H-pyridin-2-one

C6H5F2NO2 — CID 66617507

IUPAC3-(difluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OC(F)F
InChIInChI=1S/C6H5F2NO2/c7-6(8)11-4-2-1-3-9-5(4)10/h1-3,6H,(H,9,10)
InChIKeyUHICRVMXDURUGI-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.98
Rot. Bonds2

About 3-(difluoromethoxy)-1H-pyridin-2-one

3-(difluoromethoxy)-1H-pyridin-2-one (PubChem CID 66617507) has the molecular formula C6H5F2NO2 and a molecular weight of 161.11 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-1H-pyridin-2-one
PubChem CID66617507
Molecular FormulaC6H5F2NO2
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name3-(difluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OC(F)F
InChIInChI=1S/C6H5F2NO2/c7-6(8)11-4-2-1-3-9-5(4)10/h1-3,6H,(H,9,10)
InChIKeyUHICRVMXDURUGI-UHFFFAOYSA-N
XLogP0.98
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-2-pyridone
CID 88731
3-Methoxypyridin-2-ol hydrochloride
CID 91659167
3-(1,1,2,3,3,3-Hexafluoropropyloxy)pyridin-2-ol
CID 14740074
2-Hydroxy-3-methoxy-5-(trifluoromethyl)pyridine
CID 23049010
5-Bromo-3-(difluoromethoxy)pyridin-2-ol
CID 66617441
2-Hydroxy-3-methoxy-4-(trifluoromethyl)pyridine
CID 118704354
3-(Trifluoromethoxy)pyridin-2-OL
CID 130088832
5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089369
5-fluoro-3-methoxy-1H-pyridin-2-one
CID 130840624
3-(Difluoromethoxy)-1-methylpyridin-2-one
CID 135334628
3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 140672179
1-Methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171100720

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethoxy)-1H-pyridin-2-one (CID 66617507) is 3-(difluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-1H-pyridin-2-one?
The InChIKey is UHICRVMXDURUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2/c7-6(8)11-4-2-1-3-9-5(4)10/h1-3,6H,(H,9,10).
What are the key properties of 3-(difluoromethoxy)-1H-pyridin-2-one?
3-(difluoromethoxy)-1H-pyridin-2-one has a molecular weight of 161.11 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 66617507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).