5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one

C6H4BrF2NO2 — CID 130099978

IUPAC5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(O)c1C(F)F
InChIInChI=1S/C6H4BrF2NO2/c7-2-1-10-6(12)3(4(2)11)5(8)9/h1,5H,(H2,10,11,12)
InChIKeyMEXOAQPIUVASDU-UHFFFAOYSA-N
MW240.00 g/mol
LogP1.78
Rot. Bonds1

About 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one

5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one (PubChem CID 130099978) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
PubChem CID130099978
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(O)c1C(F)F
InChIInChI=1S/C6H4BrF2NO2/c7-2-1-10-6(12)3(4(2)11)5(8)9/h1,5H,(H2,10,11,12)
InChIKeyMEXOAQPIUVASDU-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

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Related Compounds

5-bromo-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130110670
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101
4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 130100336
3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100000
2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118841203
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one
CID 130110232
3-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130079585
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 118805633
5-chloro-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130072683
2-[5-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130079710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one (CID 130099978) is 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(Br)c(O)c1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
The InChIKey is MEXOAQPIUVASDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-2-1-10-6(12)3(4(2)11)5(8)9/h1,5H,(H2,10,11,12).
What are the key properties of 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
5-bromo-3-(difluoromethyl)-4-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 5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130099978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).