5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one

C7H6BrF2NO2 — CID 118022074

IUPAC5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(OC(F)F)c1=O
InChIInChI=1S/C7H6BrF2NO2/c1-11-3-4(8)2-5(6(11)12)13-7(9)10/h2-3,7H,1H3
InChIKeyXMCPEWZPAXNYLZ-UHFFFAOYSA-N
MW254.03 g/mol
LogP1.75
Rot. Bonds2

About 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one

5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one (PubChem CID 118022074) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
PubChem CID118022074
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(OC(F)F)c1=O
InChIInChI=1S/C7H6BrF2NO2/c1-11-3-4(8)2-5(6(11)12)13-7(9)10/h2-3,7H,1H3
InChIKeyXMCPEWZPAXNYLZ-UHFFFAOYSA-N
XLogP1.75
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one (CID 118022074) is 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one is Cn1cc(Br)cc(OC(F)F)c1=O.
What is the InChIKey of 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one?
The InChIKey is XMCPEWZPAXNYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c1-11-3-4(8)2-5(6(11)12)13-7(9)10/h2-3,7H,1H3.
What are the key properties of 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one?
5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one has a molecular weight of 254.03 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one is sourced from PubChem (CID 118022074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).