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

C7H9BrN2O2 — CID 103961826

IUPAC3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one
SMILESNc1cn(CCO)cc(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c8-5-3-10(1-2-11)4-6(9)7(5)12/h3-4,11H,1-2,9H2
InChIKeyBITQCABFEPMOLS-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.19
Rot. Bonds2

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

3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one (PubChem CID 103961826) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one
PubChem CID103961826
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one
SMILESNc1cn(CCO)cc(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c8-5-3-10(1-2-11)4-6(9)7(5)12/h3-4,11H,1-2,9H2
InChIKeyBITQCABFEPMOLS-UHFFFAOYSA-N
XLogP0.19
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.19
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-(2-hydroxyethyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one (CID 103961826) is 3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one is Nc1cn(CCO)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one?
The InChIKey is BITQCABFEPMOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c8-5-3-10(1-2-11)4-6(9)7(5)12/h3-4,11H,1-2,9H2.
What are the key properties of 3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one?
3-amino-5-bromo-1-(2-hydroxyethyl)pyridin-4-one has a molecular weight of 233.06 g/mol, XLogP of 0.19, 2 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-(2-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 103961826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).