1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one

C8H11BrN2O2 — CID 131021073

IUPAC1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CCON)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-6-4-7(9)5-11(8(6)12)2-3-13-10/h4-5H,2-3,10H2,1H3
InChIKeyDBCJWORRHUUIGI-UHFFFAOYSA-N
MW247.09 g/mol
LogP0.81
Rot. Bonds3

About 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one

1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one (PubChem CID 131021073) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
PubChem CID131021073
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CCON)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-6-4-7(9)5-11(8(6)12)2-3-13-10/h4-5H,2-3,10H2,1H3
InChIKeyDBCJWORRHUUIGI-UHFFFAOYSA-N
XLogP0.81
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one?
The IUPAC name of 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one (CID 131021073) is 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one.
What is the SMILES notation for 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one?
The canonical SMILES for 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one is Cc1cc(Br)cn(CCON)c1=O.
What is the InChIKey of 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one?
The InChIKey is DBCJWORRHUUIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-6-4-7(9)5-11(8(6)12)2-3-13-10/h4-5H,2-3,10H2,1H3.
What are the key properties of 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one?
1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one has a molecular weight of 247.09 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one is sourced from PubChem (CID 131021073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).