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

C7H6BrF2NO — CID 83133140

IUPAC5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(C(F)F)c1=O
InChIInChI=1S/C7H6BrF2NO/c1-4-2-5(8)3-11(6(4)12)7(9)10/h2-3,7H,1H3
InChIKeyQHASDTVBBDEWKZ-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.31
Rot. Bonds1

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

5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one (PubChem CID 83133140) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one
PubChem CID83133140
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(C(F)F)c1=O
InChIInChI=1S/C7H6BrF2NO/c1-4-2-5(8)3-11(6(4)12)7(9)10/h2-3,7H,1H3
InChIKeyQHASDTVBBDEWKZ-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 5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one (CID 83133140) is 5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one is Cc1cc(Br)cn(C(F)F)c1=O.
What is the InChIKey of 5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one?
The InChIKey is QHASDTVBBDEWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-4-2-5(8)3-11(6(4)12)7(9)10/h2-3,7H,1H3.
What are the key properties of 5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one?
5-bromo-1-(difluoromethyl)-3-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 5-bromo-1-(difluoromethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 83133140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).