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

C7H7BrN2O2 — CID 9317383

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)acetamide
SMILESNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C7H7BrN2O2/c8-5-1-2-7(12)10(3-5)4-6(9)11/h1-3H,4H2,(H2,9,11)
InChIKeyROOKHQHSDRHOFW-UHFFFAOYSA-N
MW231.05 g/mol
LogP0.10
Rot. Bonds2

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

2-(5-bromo-2-oxo-1-pyridinyl)acetamide (PubChem CID 9317383) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)acetamide
PubChem CID9317383
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)acetamide
SMILESNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C7H7BrN2O2/c8-5-1-2-7(12)10(3-5)4-6(9)11/h1-3H,4H2,(H2,9,11)
InChIKeyROOKHQHSDRHOFW-UHFFFAOYSA-N
XLogP0.10
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)acetamide (CID 9317383) is 2-(5-bromo-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)acetamide is NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)acetamide?
The InChIKey is ROOKHQHSDRHOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c8-5-1-2-7(12)10(3-5)4-6(9)11/h1-3H,4H2,(H2,9,11).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)acetamide has a molecular weight of 231.05 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 9317383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).