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

C9H13BrN2O — CID 103961797

IUPAC3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one
SMILESCC(C)Cn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-6(2)3-12-4-7(10)9(13)8(11)5-12/h4-6H,3,11H2,1-2H3
InChIKeyFKSROSYZOVSNTL-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.85
Rot. Bonds2

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

3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one (PubChem CID 103961797) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one
PubChem CID103961797
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one
SMILESCC(C)Cn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-6(2)3-12-4-7(10)9(13)8(11)5-12/h4-6H,3,11H2,1-2H3
InChIKeyFKSROSYZOVSNTL-UHFFFAOYSA-N
XLogP1.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-5-bromo-1-(2-methylpropyl)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-methylpropyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one (CID 103961797) is 3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one is CC(C)Cn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of 3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one?
The InChIKey is FKSROSYZOVSNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-6(2)3-12-4-7(10)9(13)8(11)5-12/h4-6H,3,11H2,1-2H3.
What are the key properties of 3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one?
3-amino-5-bromo-1-(2-methylpropyl)pyridin-4-one has a molecular weight of 245.12 g/mol, XLogP of 1.85, 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-methylpropyl)pyridin-4-one is sourced from PubChem (CID 103961797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).