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

C6H4BrF2NO2 — CID 119013283

IUPAC6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)c(O)cc1C(F)F
InChIInChI=1S/C6H4BrF2NO2/c7-4-3(11)1-2(5(8)9)6(12)10-4/h1,5,11H,(H,10,12)
InChIKeyQGEHDTSFNQTEQW-UHFFFAOYSA-N
MW240.00 g/mol
LogP1.78
Rot. Bonds1

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

6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one (PubChem CID 119013283) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
PubChem CID119013283
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)c(O)cc1C(F)F
InChIInChI=1S/C6H4BrF2NO2/c7-4-3(11)1-2(5(8)9)6(12)10-4/h1,5,11H,(H,10,12)
InChIKeyQGEHDTSFNQTEQW-UHFFFAOYSA-N
XLogP1.78
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130110439
3-(aminomethyl)-6-bromo-5-(difluoromethyl)-1H-pyridin-2-one
CID 133093574
methyl 6-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110453
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
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130109294
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
CID 130110666
6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130110088
6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130110015

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one (CID 119013283) is 6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one is O=c1[nH]c(Br)c(O)cc1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The InChIKey is QGEHDTSFNQTEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-4-3(11)1-2(5(8)9)6(12)10-4/h1,5,11H,(H,10,12).
What are the key properties of 6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one has a molecular weight of 240.00 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 119013283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).