5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one

C8H8BrF2NO2 — CID 156539713

IUPAC5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one
SMILESCCOc1cc(Br)cn(C(F)F)c1=O
InChIInChI=1S/C8H8BrF2NO2/c1-2-14-6-3-5(9)4-12(7(6)13)8(10)11/h3-4,8H,2H2,1H3
InChIKeyLZSRKQKJOPRNTC-UHFFFAOYSA-N
MW268.06 g/mol
LogP2.40
Rot. Bonds3

About 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one

5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one (PubChem CID 156539713) has the molecular formula C8H8BrF2NO2 and a molecular weight of 268.06 g/mol. Its IUPAC name is 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one
PubChem CID156539713
Molecular FormulaC8H8BrF2NO2
Molecular Weight268.06 g/mol
Exact Mass266.97
IUPAC Name5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one
SMILESCCOc1cc(Br)cn(C(F)F)c1=O
InChIInChI=1S/C8H8BrF2NO2/c1-2-14-6-3-5(9)4-12(7(6)13)8(10)11/h3-4,8H,2H2,1H3
InChIKeyLZSRKQKJOPRNTC-UHFFFAOYSA-N
XLogP2.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-methoxy-1-methyl-1,2-dihydropyridin-2-one
CID 101667718
5-Bromo-3-(difluoromethoxy)pyridin-2-ol
CID 66617441
5-Fluoro-3-methoxy-1-methylpyridin-2-one
CID 68092063
5-Bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
CID 118022074
5-Bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
CID 118022724
3-(Difluoromethoxy)-1-ethylpyridin-2-one
CID 171101226
Ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171801023
5-Bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one
CID 174170103
[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate
CID 175311863
1-[[5-Bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate
CID 175311864
5-Bromo-1-(2-fluoroethyl)-3-methoxypyridin-2-one
CID 178750781
5-Bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one
CID 167764744

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one?
The IUPAC name of 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one (CID 156539713) is 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one.
What is the SMILES notation for 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one?
The canonical SMILES for 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one is CCOc1cc(Br)cn(C(F)F)c1=O.
What is the InChIKey of 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one?
The InChIKey is LZSRKQKJOPRNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2/c1-2-14-6-3-5(9)4-12(7(6)13)8(10)11/h3-4,8H,2H2,1H3.
What are the key properties of 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one?
5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one has a molecular weight of 268.06 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one is sourced from PubChem (CID 156539713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).