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

C8H10BrFN2O — CID 103961916

IUPAC3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one
SMILESNc1cn(CCCF)cc(Br)c1=O
InChIInChI=1S/C8H10BrFN2O/c9-6-4-12(3-1-2-10)5-7(11)8(6)13/h4-5H,1-3,11H2
InChIKeyKIWFMOAAFZAXSL-UHFFFAOYSA-N
MW249.08 g/mol
LogP1.55
Rot. Bonds3

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

3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one (PubChem CID 103961916) has the molecular formula C8H10BrFN2O and a molecular weight of 249.08 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one
PubChem CID103961916
Molecular FormulaC8H10BrFN2O
Molecular Weight249.08 g/mol
Exact Mass248.00
IUPAC Name3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one
SMILESNc1cn(CCCF)cc(Br)c1=O
InChIInChI=1S/C8H10BrFN2O/c9-6-4-12(3-1-2-10)5-7(11)8(6)13/h4-5H,1-3,11H2
InChIKeyKIWFMOAAFZAXSL-UHFFFAOYSA-N
XLogP1.55
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 51.55
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-(3-fluoropropyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one (CID 103961916) is 3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one is Nc1cn(CCCF)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one?
The InChIKey is KIWFMOAAFZAXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O/c9-6-4-12(3-1-2-10)5-7(11)8(6)13/h4-5H,1-3,11H2.
What are the key properties of 3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one?
3-amino-5-bromo-1-(3-fluoropropyl)pyridin-4-one has a molecular weight of 249.08 g/mol, XLogP of 1.55, 3 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-(3-fluoropropyl)pyridin-4-one is sourced from PubChem (CID 103961916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).