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

C6H4BrF2NO2 — CID 119022444

IUPAC2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1O
InChIInChI=1S/C6H4BrF2NO2/c7-5-4(12)3(11)1-2(10-5)6(8)9/h1,6,12H,(H,10,11)
InChIKeyCEYUULRBAWPJJU-UHFFFAOYSA-N
MW240.00 g/mol
LogP1.78
Rot. Bonds1

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

2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (PubChem CID 119022444) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
PubChem CID119022444
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1O
InChIInChI=1S/C6H4BrF2NO2/c7-5-4(12)3(11)1-2(10-5)6(8)9/h1,6,12H,(H,10,11)
InChIKeyCEYUULRBAWPJJU-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 2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (CID 119022444) is 2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(Br)c1O.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The InChIKey is CEYUULRBAWPJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-5-4(12)3(11)1-2(10-5)6(8)9/h1,6,12H,(H,10,11).
What are the key properties of 2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-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 2-bromo-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 119022444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).