2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide

C8H9BrN2O2 — CID 32890706

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrN2O2/c1-10-7(12)5-11-4-6(9)2-3-8(11)13/h2-4H,5H2,1H3,(H,10,12)
InChIKeyWBCIKUXQHNFROL-UHFFFAOYSA-N
MW245.08 g/mol
LogP0.36
Rot. Bonds2

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide (PubChem CID 32890706) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide
PubChem CID32890706
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrN2O2/c1-10-7(12)5-11-4-6(9)2-3-8(11)13/h2-4H,5H2,1H3,(H,10,12)
InChIKeyWBCIKUXQHNFROL-UHFFFAOYSA-N
XLogP0.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.36
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)-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide (CID 32890706) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide is CNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide?
The InChIKey is WBCIKUXQHNFROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-10-7(12)5-11-4-6(9)2-3-8(11)13/h2-4H,5H2,1H3,(H,10,12).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide has a molecular weight of 245.08 g/mol, XLogP of 0.36, 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)-N-methylacetamide is sourced from PubChem (CID 32890706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).