6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one

C6H3BrF3NO — CID 119018923

IUPAC6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)c(C(F)F)cc1F
InChIInChI=1S/C6H3BrF3NO/c7-4-2(5(9)10)1-3(8)6(12)11-4/h1,5H,(H,11,12)
InChIKeyRSDQCLZVZVFBHO-UHFFFAOYSA-N
MW241.99 g/mol
LogP2.21
Rot. Bonds1

About 6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one

6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one (PubChem CID 119018923) has the molecular formula C6H3BrF3NO and a molecular weight of 241.99 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
PubChem CID119018923
Molecular FormulaC6H3BrF3NO
Molecular Weight241.99 g/mol
Exact Mass240.94
IUPAC Name6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)c(C(F)F)cc1F
InChIInChI=1S/C6H3BrF3NO/c7-4-2(5(9)10)1-3(8)6(12)11-4/h1,5H,(H,11,12)
InChIKeyRSDQCLZVZVFBHO-UHFFFAOYSA-N
XLogP2.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.99
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one (CID 119018923) is 6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one is O=c1[nH]c(Br)c(C(F)F)cc1F.
What is the InChIKey of 6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The InChIKey is RSDQCLZVZVFBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO/c7-4-2(5(9)10)1-3(8)6(12)11-4/h1,5H,(H,11,12).
What are the key properties of 6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one has a molecular weight of 241.99 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 119018923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).