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

C6H4BrF2NO2 — CID 119002323

IUPAC6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(O)c(Br)[nH]1
InChIInChI=1S/C6H4BrF2NO2/c7-5-4(12)2(6(8)9)1-3(11)10-5/h1,6,12H,(H,10,11)
InChIKeyYEOPQXFUIDOJOO-UHFFFAOYSA-N
MW240.00 g/mol
LogP1.78
Rot. Bonds1

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

6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one (PubChem CID 119002323) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
PubChem CID119002323
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(O)c(Br)[nH]1
InChIInChI=1S/C6H4BrF2NO2/c7-5-4(12)2(6(8)9)1-3(11)10-5/h1,6,12H,(H,10,11)
InChIKeyYEOPQXFUIDOJOO-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one (CID 119002323) is 6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one is O=c1cc(C(F)F)c(O)c(Br)[nH]1.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The InChIKey is YEOPQXFUIDOJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-5-4(12)2(6(8)9)1-3(11)10-5/h1,6,12H,(H,10,11).
What are the key properties of 6-bromo-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
6-bromo-4-(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-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 119002323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).