5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one

C10H12BrF2NO2 — CID 174170103

IUPAC5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one
SMILESCC(C)COc1cc(Br)cn(C(F)F)c1=O
InChIInChI=1S/C10H12BrF2NO2/c1-6(2)5-16-8-3-7(11)4-14(9(8)15)10(12)13/h3-4,6,10H,5H2,1-2H3
InChIKeyILDROQSFVOZOPD-UHFFFAOYSA-N
MW296.11 g/mol
LogP3.04
Rot. Bonds4

About 5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one

5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one (PubChem CID 174170103) has the molecular formula C10H12BrF2NO2 and a molecular weight of 296.11 g/mol. Its IUPAC name is 5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one
PubChem CID174170103
Molecular FormulaC10H12BrF2NO2
Molecular Weight296.11 g/mol
Exact Mass295.00
IUPAC Name5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one
SMILESCC(C)COc1cc(Br)cn(C(F)F)c1=O
InChIInChI=1S/C10H12BrF2NO2/c1-6(2)5-16-8-3-7(11)4-14(9(8)15)10(12)13/h3-4,6,10H,5H2,1-2H3
InChIKeyILDROQSFVOZOPD-UHFFFAOYSA-N
XLogP3.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one?
The IUPAC name of 5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one (CID 174170103) is 5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one is CC(C)COc1cc(Br)cn(C(F)F)c1=O.
What is the InChIKey of 5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one?
The InChIKey is ILDROQSFVOZOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO2/c1-6(2)5-16-8-3-7(11)4-14(9(8)15)10(12)13/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one?
5-bromo-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one has a molecular weight of 296.11 g/mol, XLogP of 3.04, 4 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-(2-methylpropoxy)pyridin-2-one is sourced from PubChem (CID 174170103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).