2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide

C10H13BrN2O3 — CID 47096734

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H13BrN2O3/c1-16-5-4-12-9(14)7-13-6-8(11)2-3-10(13)15/h2-3,6H,4-5,7H2,1H3,(H,12,14)
InChIKeyGFMMRDGGBCLEGG-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.37
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide (PubChem CID 47096734) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
PubChem CID47096734
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H13BrN2O3/c1-16-5-4-12-9(14)7-13-6-8(11)2-3-10(13)15/h2-3,6H,4-5,7H2,1H3,(H,12,14)
InChIKeyGFMMRDGGBCLEGG-UHFFFAOYSA-N
XLogP0.37
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide (CID 47096734) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is GFMMRDGGBCLEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-16-5-4-12-9(14)7-13-6-8(11)2-3-10(13)15/h2-3,6H,4-5,7H2,1H3,(H,12,14).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 289.13 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 47096734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).