3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one

C6H3BrF3NO — CID 130109294

IUPAC3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(F)c(C(F)F)cc1Br
InChIInChI=1S/C6H3BrF3NO/c7-3-1-2(4(8)9)5(10)11-6(3)12/h1,4H,(H,11,12)
InChIKeyPHJHZJQPMNHOQO-UHFFFAOYSA-N
MW241.99 g/mol
LogP2.21
Rot. Bonds1

About 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one

3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one (PubChem CID 130109294) has the molecular formula C6H3BrF3NO and a molecular weight of 241.99 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
PubChem CID130109294
Molecular FormulaC6H3BrF3NO
Molecular Weight241.99 g/mol
Exact Mass240.94
IUPAC Name3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(F)c(C(F)F)cc1Br
InChIInChI=1S/C6H3BrF3NO/c7-3-1-2(4(8)9)5(10)11-6(3)12/h1,4H,(H,11,12)
InChIKeyPHJHZJQPMNHOQO-UHFFFAOYSA-N
XLogP2.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.99
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130110303
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
CID 130110666
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130110337
5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101701
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130110439
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143
5-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
CID 130079672
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 119013283
6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130110015
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one (CID 130109294) is 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one is O=c1[nH]c(F)c(C(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The InChIKey is PHJHZJQPMNHOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO/c7-3-1-2(4(8)9)5(10)11-6(3)12/h1,4H,(H,11,12).
What are the key properties of 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one has a molecular weight of 241.99 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130109294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).