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

C6H4BrF2NO2 — CID 118806366

IUPAC4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
SMILESO=c1cc(Br)c(C(F)F)c(O)[nH]1
InChIInChI=1S/C6H4BrF2NO2/c7-2-1-3(11)10-6(12)4(2)5(8)9/h1,5H,(H2,10,11,12)
InChIKeyGOUCYUHKOCOEHA-UHFFFAOYSA-N
MW240.00 g/mol
LogP1.78
Rot. Bonds1

About 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one

4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one (PubChem CID 118806366) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
PubChem CID118806366
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
SMILESO=c1cc(Br)c(C(F)F)c(O)[nH]1
InChIInChI=1S/C6H4BrF2NO2/c7-2-1-3(11)10-6(12)4(2)5(8)9/h1,5H,(H2,10,11,12)
InChIKeyGOUCYUHKOCOEHA-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one (CID 118806366) is 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one is O=c1cc(Br)c(C(F)F)c(O)[nH]1.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The InChIKey is GOUCYUHKOCOEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-2-1-3(11)10-6(12)4(2)5(8)9/h1,5H,(H2,10,11,12).
What are the key properties of 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
4-bromo-5-(difluoromethyl)-6-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 4-bromo-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 118806366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).