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

C6H4BrF2NO2 — CID 130099985

IUPAC3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1Br
InChIInChI=1S/C6H4BrF2NO2/c7-3-4(6(8)9)10-1-2(11)5(3)12/h1,6,11H,(H,10,12)
InChIKeyMJMIOYVSNLIXCN-UHFFFAOYSA-N
MW240.00 g/mol
LogP1.78
Rot. Bonds1

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

3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one (PubChem CID 130099985) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
PubChem CID130099985
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1Br
InChIInChI=1S/C6H4BrF2NO2/c7-3-4(6(8)9)10-1-2(11)5(3)12/h1,6,11H,(H,10,12)
InChIKeyMJMIOYVSNLIXCN-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 3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
The IUPAC name of 3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one (CID 130099985) is 3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one is O=c1c(O)c[nH]c(C(F)F)c1Br.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
The InChIKey is MJMIOYVSNLIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-3-4(6(8)9)10-1-2(11)5(3)12/h1,6,11H,(H,10,12).
What are the key properties of 3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
3-bromo-2-(difluoromethyl)-5-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 3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 130099985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).