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

C6H3BrF3NO — CID 118993165

IUPAC2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1F
InChIInChI=1S/C6H3BrF3NO/c7-5-4(8)3(12)1-2(11-5)6(9)10/h1,6H,(H,11,12)
InChIKeyVNOATVGZVMSGRW-UHFFFAOYSA-N
MW241.99 g/mol
LogP2.21
Rot. Bonds1

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

2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (PubChem CID 118993165) has the molecular formula C6H3BrF3NO and a molecular weight of 241.99 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
PubChem CID118993165
Molecular FormulaC6H3BrF3NO
Molecular Weight241.99 g/mol
Exact Mass240.94
IUPAC Name2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1F
InChIInChI=1S/C6H3BrF3NO/c7-5-4(8)3(12)1-2(11-5)6(9)10/h1,6H,(H,11,12)
InChIKeyVNOATVGZVMSGRW-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

2,6-Bis(trifluoromethyl)-4-pyridinol
CID 595786
6-bromo-3-fluoro-2-methyl-1H-pyridin-4-one
CID 146287348
2-Fluoro-6-methylpyridin-4-ol
CID 53485196
2-Methyl-6-trifluoromethyl-pyridin-4-ol
CID 91926585
2-Bromo-4-hydroxy-6-(trifluoromethyl)pyridine
CID 118704105
2-Fluoro-4-hydroxy-6-(trifluoromethyl)pyridine
CID 118704284
2-(Bromomethyl)-6-(difluoromethyl)-3-fluoro-4-hydroxypyridine
CID 118821511
2,3-Dibromo-6-(difluoromethyl)-4-hydroxypyridine
CID 118826445
2-(Difluoromethyl)-3-fluoro-4-hydroxy-6-iodopyridine
CID 118831646
2-(Difluoromethyl)-6-fluoro-4-hydroxy-3-iodopyridine
CID 118832206
2-(Bromomethyl)-3-chloro-6-(difluoromethyl)-4-hydroxypyridine
CID 118843830
2-(Difluoromethyl)-6-iodopyridin-4-ol
CID 118991393

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (CID 118993165) is 2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(Br)c1F.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The InChIKey is VNOATVGZVMSGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO/c7-5-4(8)3(12)1-2(11-5)6(9)10/h1,6H,(H,11,12).
What are the key properties of 2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-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 2-bromo-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 118993165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).