1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one

C13H12Br2N2O2 — CID 82897267

IUPAC1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one
SMILESNc1cc(Br)c(OCCn2ccccc2=O)c(Br)c1
InChIInChI=1S/C13H12Br2N2O2/c14-10-7-9(16)8-11(15)13(10)19-6-5-17-4-2-1-3-12(17)18/h1-4,7-8H,5-6,16H2
InChIKeyBQYLNANNWPZTTB-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.03
Rot. Bonds4

About 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one

1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one (PubChem CID 82897267) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one
PubChem CID82897267
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC Name1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one
SMILESNc1cc(Br)c(OCCn2ccccc2=O)c(Br)c1
InChIInChI=1S/C13H12Br2N2O2/c14-10-7-9(16)8-11(15)13(10)19-6-5-17-4-2-1-3-12(17)18/h1-4,7-8H,5-6,16H2
InChIKeyBQYLNANNWPZTTB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 107741788
1-[2-(2-acetyl-6-amino-4-bromophenoxy)ethyl]pyridin-2-one
CID 116541213
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde
CID 82896972
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
CID 82896589
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 82896590
2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate
CID 82906963
1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
CID 103566056
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride
CID 82911095
1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
CID 116618450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one (CID 82897267) is 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one is Nc1cc(Br)c(OCCn2ccccc2=O)c(Br)c1.
What is the InChIKey of 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one?
The InChIKey is BQYLNANNWPZTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c14-10-7-9(16)8-11(15)13(10)19-6-5-17-4-2-1-3-12(17)18/h1-4,7-8H,5-6,16H2.
What are the key properties of 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one?
1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-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 1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 82897267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).