1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one

C13H13BrN2O2 — CID 43365768

IUPAC1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
SMILESNc1ccc(OCCn2cc(Br)ccc2=O)cc1
InChIInChI=1S/C13H13BrN2O2/c14-10-1-6-13(17)16(9-10)7-8-18-12-4-2-11(15)3-5-12/h1-6,9H,7-8,15H2
InChIKeyGZCPLFRFLYIIND-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.27
Rot. Bonds4

About 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one

1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one (PubChem CID 43365768) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
PubChem CID43365768
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
SMILESNc1ccc(OCCn2cc(Br)ccc2=O)cc1
InChIInChI=1S/C13H13BrN2O2/c14-10-1-6-13(17)16(9-10)7-8-18-12-4-2-11(15)3-5-12/h1-6,9H,7-8,15H2
InChIKeyGZCPLFRFLYIIND-UHFFFAOYSA-N
XLogP2.27
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-Piperidin-1-yl-ethoxy)-phenylamine
CID 3016025
4-(2-Morpholinoethoxy)aniline
CID 6484711
Maleimide, N-(5-(p-aminophenoxy)pentyl)-
CID 58133
Acetamide, N-(5-(p-aminophenoxy)pentyl)-2-phenoxy-
CID 59198
2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
CID 50988941
4-(2-(Diethylamino)ethoxy)aniline
CID 418932
2-(4-aminophenoxy)-N,N-dimethylacetamide
CID 235547
N-[2-(4-aminophenoxy)ethyl]acetamide
CID 309969
5-Methyl-1-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridin-2-one
CID 71541787
1-[4-[4-(Dimethylamino)butoxy]phenyl]-5-methylpyridin-2-one
CID 71541788
5-Methyl-1-[4-(4-morpholin-4-ylbutoxy)phenyl]pyridin-2-one
CID 71541882
1-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one
CID 71543108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one?
The IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one (CID 43365768) is 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one.
What is the SMILES notation for 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one?
The canonical SMILES for 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one is Nc1ccc(OCCn2cc(Br)ccc2=O)cc1.
What is the InChIKey of 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one?
The InChIKey is GZCPLFRFLYIIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-10-1-6-13(17)16(9-10)7-8-18-12-4-2-11(15)3-5-12/h1-6,9H,7-8,15H2.
What are the key properties of 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one?
1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one has a molecular weight of 309.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one is sourced from PubChem (CID 43365768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).