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

C8H11BrN2O2 — CID 103961967

IUPAC3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one
SMILESNc1cn(CCCO)cc(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c9-6-4-11(2-1-3-12)5-7(10)8(6)13/h4-5,12H,1-3,10H2
InChIKeyJORWETXDIFELTF-UHFFFAOYSA-N
MW247.09 g/mol
LogP0.58
Rot. Bonds3

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

3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one (PubChem CID 103961967) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one
PubChem CID103961967
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one
SMILESNc1cn(CCCO)cc(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c9-6-4-11(2-1-3-12)5-7(10)8(6)13/h4-5,12H,1-3,10H2
InChIKeyJORWETXDIFELTF-UHFFFAOYSA-N
XLogP0.58
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one (CID 103961967) is 3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one is Nc1cn(CCCO)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one?
The InChIKey is JORWETXDIFELTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c9-6-4-11(2-1-3-12)5-7(10)8(6)13/h4-5,12H,1-3,10H2.
What are the key properties of 3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one?
3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one has a molecular weight of 247.09 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(3-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 103961967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).