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

C7H6BrF2NO — CID 130110117

IUPAC3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)[nH]c(=O)c1Br
InChIInChI=1S/C7H6BrF2NO/c1-3-2-4(6(9)10)11-7(12)5(3)8/h2,6H,1H3,(H,11,12)
InChIKeyAYZXERLMRRJEHY-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.38
Rot. Bonds1

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

3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one (PubChem CID 130110117) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
PubChem CID130110117
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)[nH]c(=O)c1Br
InChIInChI=1S/C7H6BrF2NO/c1-3-2-4(6(9)10)11-7(12)5(3)8/h2,6H,1H3,(H,11,12)
InChIKeyAYZXERLMRRJEHY-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

2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 119002782
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130083780
6-(difluoromethyl)-4-methyl-2-oxo-1H-pyridine-3-sulfonamide
CID 130084130
4-(chloromethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 130083768
1-[5-(difluoromethyl)-3-methyl-1H-pyrrol-2-yl]ethanone
CID 84654571
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076488
4-amino-6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 118812209
2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
CID 62892262
3-bromo-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
CID 130110150
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299
6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
CID 137203197
6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
CID 130079289

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one (CID 130110117) is 3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one is Cc1cc(C(F)F)[nH]c(=O)c1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is AYZXERLMRRJEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-3-2-4(6(9)10)11-7(12)5(3)8/h2,6H,1H3,(H,11,12).
What are the key properties of 3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
3-bromo-6-(difluoromethyl)-4-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 3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130110117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).