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

C7H6BrF2NO — CID 166542266

IUPAC3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one
SMILESCc1cc(Br)c(=O)n(C(F)F)c1
InChIInChI=1S/C7H6BrF2NO/c1-4-2-5(8)6(12)11(3-4)7(9)10/h2-3,7H,1H3
InChIKeyRXQFIBPSMLCKML-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.31
Rot. Bonds1

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

3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one (PubChem CID 166542266) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one
PubChem CID166542266
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one
SMILESCc1cc(Br)c(=O)n(C(F)F)c1
InChIInChI=1S/C7H6BrF2NO/c1-4-2-5(8)6(12)11(3-4)7(9)10/h2-3,7H,1H3
InChIKeyRXQFIBPSMLCKML-UHFFFAOYSA-N
XLogP2.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one?
The IUPAC name of 3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one (CID 166542266) is 3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one?
The canonical SMILES for 3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one is Cc1cc(Br)c(=O)n(C(F)F)c1.
What is the InChIKey of 3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one?
The InChIKey is RXQFIBPSMLCKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-4-2-5(8)6(12)11(3-4)7(9)10/h2-3,7H,1H3.
What are the key properties of 3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one?
3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one has a molecular weight of 238.03 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(difluoromethyl)-5-methylpyridin-2-one is sourced from PubChem (CID 166542266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).