2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide

C9H11BrN2O2 — CID 166541118

IUPAC2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc(Br)cc1=O
InChIInChI=1S/C9H11BrN2O2/c1-11(2)9(14)6-12-4-3-7(10)5-8(12)13/h3-5H,6H2,1-2H3
InChIKeyOFQBURYMPXAPSV-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.70
Rot. Bonds2

About 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide

2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide (PubChem CID 166541118) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
PubChem CID166541118
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc(Br)cc1=O
InChIInChI=1S/C9H11BrN2O2/c1-11(2)9(14)6-12-4-3-7(10)5-8(12)13/h3-5H,6H2,1-2H3
InChIKeyOFQBURYMPXAPSV-UHFFFAOYSA-N
XLogP0.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide (CID 166541118) is 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc(Br)cc1=O.
What is the InChIKey of 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The InChIKey is OFQBURYMPXAPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-11(2)9(14)6-12-4-3-7(10)5-8(12)13/h3-5H,6H2,1-2H3.
What are the key properties of 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide has a molecular weight of 259.10 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide is sourced from PubChem (CID 166541118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).