4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one

C7H6BrF2NO — CID 118834378

IUPAC4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
SMILESCc1c(Br)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H6BrF2NO/c1-3-4(8)2-5(6(9)10)11-7(3)12/h2,6H,1H3,(H,11,12)
InChIKeyBMKKAYQOVMEWNG-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.38
Rot. Bonds1

About 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one

4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one (PubChem CID 118834378) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
PubChem CID118834378
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
SMILESCc1c(Br)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H6BrF2NO/c1-3-4(8)2-5(6(9)10)11-7(3)12/h2,6H,1H3,(H,11,12)
InChIKeyBMKKAYQOVMEWNG-UHFFFAOYSA-N
XLogP2.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-3,6-dimethylpyridin-2(1h)-one
CID 59544344
2(1H)-Pyridinone, 6-methyl-3-(trifluoromethyl)-
CID 20767670
3-Methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 59340901
5-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 68505612
3-Bromo-6-(difluoromethyl)-2-hydroxypyridine
CID 99991587
4-Bromo-6-(difluoromethyl)pyridin-2-ol
CID 118845390
ethane;3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 143933050
6-methyl-3-(trifluoromethyl)-1H-pyridin-1-ium-2-one
CID 163718252
ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 170734395
ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 178714771
5-bromo-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 105511258
3-Bromomethyl-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118704048

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one (CID 118834378) is 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one is Cc1c(Br)cc(C(F)F)[nH]c1=O.
What is the InChIKey of 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is BMKKAYQOVMEWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-3-4(8)2-5(6(9)10)11-7(3)12/h2,6H,1H3,(H,11,12).
What are the key properties of 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one?
4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 238.03 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118834378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).