3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one

C6H5BrF2N2O — CID 165468353

IUPAC3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one
SMILESNc1cn(C(F)F)cc(Br)c1=O
InChIInChI=1S/C6H5BrF2N2O/c7-3-1-11(6(8)9)2-4(10)5(3)12/h1-2,6H,10H2
InChIKeyZDFZIQCFZXYXRW-UHFFFAOYSA-N
MW239.02 g/mol
LogP1.59
Rot. Bonds1

About 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one

3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one (PubChem CID 165468353) has the molecular formula C6H5BrF2N2O and a molecular weight of 239.02 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one
PubChem CID165468353
Molecular FormulaC6H5BrF2N2O
Molecular Weight239.02 g/mol
Exact Mass237.96
IUPAC Name3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one
SMILESNc1cn(C(F)F)cc(Br)c1=O
InChIInChI=1S/C6H5BrF2N2O/c7-3-1-11(6(8)9)2-4(10)5(3)12/h1-2,6H,10H2
InChIKeyZDFZIQCFZXYXRW-UHFFFAOYSA-N
XLogP1.59
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.02
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one (CID 165468353) is 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one is Nc1cn(C(F)F)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one?
The InChIKey is ZDFZIQCFZXYXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O/c7-3-1-11(6(8)9)2-4(10)5(3)12/h1-2,6H,10H2.
What are the key properties of 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one?
3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one has a molecular weight of 239.02 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(difluoromethyl)pyridin-4-one is sourced from PubChem (CID 165468353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).