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

C8H11BrN2O3 — CID 103961843

IUPAC3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one
SMILESNc1cn(CC(O)CO)cc(Br)c1=O
InChIInChI=1S/C8H11BrN2O3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4,10H2
InChIKeyLBXVQHXOFNBFPS-UHFFFAOYSA-N
MW263.09 g/mol
LogP-0.45
Rot. Bonds3

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

3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one (PubChem CID 103961843) has the molecular formula C8H11BrN2O3 and a molecular weight of 263.09 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one
PubChem CID103961843
Molecular FormulaC8H11BrN2O3
Molecular Weight263.09 g/mol
Exact Mass262.00
IUPAC Name3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one
SMILESNc1cn(CC(O)CO)cc(Br)c1=O
InChIInChI=1S/C8H11BrN2O3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4,10H2
InChIKeyLBXVQHXOFNBFPS-UHFFFAOYSA-N
XLogP-0.45
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one (CID 103961843) is 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one is Nc1cn(CC(O)CO)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one?
The InChIKey is LBXVQHXOFNBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4,10H2.
What are the key properties of 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one?
3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one has a molecular weight of 263.09 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(2,3-dihydroxypropyl)pyridin-4-one is sourced from PubChem (CID 103961843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).