3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one

C13H12Br2N2O2 — CID 103961936

IUPAC3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one
SMILESNc1cn(CCOc2cccc(Br)c2)cc(Br)c1=O
InChIInChI=1S/C13H12Br2N2O2/c14-9-2-1-3-10(6-9)19-5-4-17-7-11(15)13(18)12(16)8-17/h1-3,6-8H,4-5,16H2
InChIKeyOZGMYMWPCFIAGR-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one

3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one (PubChem CID 103961936) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one
PubChem CID103961936
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC Name3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one
SMILESNc1cn(CCOc2cccc(Br)c2)cc(Br)c1=O
InChIInChI=1S/C13H12Br2N2O2/c14-9-2-1-3-10(6-9)19-5-4-17-7-11(15)13(18)12(16)8-17/h1-3,6-8H,4-5,16H2
InChIKeyOZGMYMWPCFIAGR-UHFFFAOYSA-N
XLogP3.03
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]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

Related Compounds

1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588
4-amino-1-[2-(3-bromophenoxy)ethyl]pyrazole-3-carboxylic acid
CID 107344238
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970700
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718361
2-[3-(3-bromophenoxy)propyl]isoindole-1,3-dione
CID 68968338
1-[2-(3-bromophenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 55378562
1-[2-(3-bromophenoxy)ethyl]pyrrolidine-3-carboxamide
CID 103617459
2-(3-bromophenoxy)ethyl 2-amino-6-methylbenzoate
CID 63450116
1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one
CID 82147649

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one (CID 103961936) is 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one is Nc1cn(CCOc2cccc(Br)c2)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one?
The InChIKey is OZGMYMWPCFIAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c14-9-2-1-3-10(6-9)19-5-4-17-7-11(15)13(18)12(16)8-17/h1-3,6-8H,4-5,16H2.
What are the key properties of 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one?
3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one has a molecular weight of 388.06 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one is sourced from PubChem (CID 103961936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).