3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one

C7H7BrF2N2O — CID 103961973

IUPAC3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one
SMILESNc1cn(CC(F)F)cc(Br)c1=O
InChIInChI=1S/C7H7BrF2N2O/c8-4-1-12(3-6(9)10)2-5(11)7(4)13/h1-2,6H,3,11H2
InChIKeyVEPORBUPIDPQEW-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.46
Rot. Bonds2

About 3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one

3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one (PubChem CID 103961973) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one
PubChem CID103961973
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one
SMILESNc1cn(CC(F)F)cc(Br)c1=O
InChIInChI=1S/C7H7BrF2N2O/c8-4-1-12(3-6(9)10)2-5(11)7(4)13/h1-2,6H,3,11H2
InChIKeyVEPORBUPIDPQEW-UHFFFAOYSA-N
XLogP1.46
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 51.46
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-(2,2-difluoroethyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one (CID 103961973) is 3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one is Nc1cn(CC(F)F)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one?
The InChIKey is VEPORBUPIDPQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-4-1-12(3-6(9)10)2-5(11)7(4)13/h1-2,6H,3,11H2.
What are the key properties of 3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one?
3-amino-5-bromo-1-(2,2-difluoroethyl)pyridin-4-one has a molecular weight of 253.05 g/mol, XLogP of 1.46, 2 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-(2,2-difluoroethyl)pyridin-4-one is sourced from PubChem (CID 103961973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).