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

C6H4BrF2NO2 — CID 66617441

IUPAC5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1OC(F)F
InChIInChI=1S/C6H4BrF2NO2/c7-3-1-4(12-6(8)9)5(11)10-2-3/h1-2,6H,(H,10,11)
InChIKeySKHFYQHKLICWDM-UHFFFAOYSA-N
MW240.00 g/mol
LogP1.74
Rot. Bonds2

About 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one

5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one (PubChem CID 66617441) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one
PubChem CID66617441
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1OC(F)F
InChIInChI=1S/C6H4BrF2NO2/c7-3-1-4(12-6(8)9)5(11)10-2-3/h1-2,6H,(H,10,11)
InChIKeySKHFYQHKLICWDM-UHFFFAOYSA-N
XLogP1.74
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-3-methoxypyridin-2(1H)-one
CID 70701126
3-(Difluoromethoxy)pyridin-2-ol
CID 66617507
5-Bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
CID 118022074
5-Bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
CID 118022724
5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
CID 118025202
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-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 140672179
5-Bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one
CID 156539713
5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 171552613
5-fluoro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 178804171

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one (CID 66617441) is 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(Br)cc1OC(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one?
The InChIKey is SKHFYQHKLICWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-3-1-4(12-6(8)9)5(11)10-2-3/h1-2,6H,(H,10,11).
What are the key properties of 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one?
5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one has a molecular weight of 240.00 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 66617441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).