2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide

C9H11BrN2O2 — CID 60627635

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H11BrN2O2/c1-11(2)9(14)6-12-5-7(10)3-4-8(12)13/h3-5H,6H2,1-2H3
InChIKeyIHESJMYZQWXMDL-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.70
Rot. Bonds2

About 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide (PubChem CID 60627635) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
PubChem CID60627635
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H11BrN2O2/c1-11(2)9(14)6-12-5-7(10)3-4-8(12)13/h3-5H,6H2,1-2H3
InChIKeyIHESJMYZQWXMDL-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

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Related Compounds

5-Bromo-1-isopropylpyridin-2(1H)-one
CID 46738820
5-Bromo-1-(2-oxopropyl)-1,2-dihydropyridin-2-one hydrochloride
CID 86776497
2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide
CID 53515617
2-(4-bromo-2-oxo-1-pyridinyl)-N-propylacetamide
CID 126837423
5-Bromo-1-(2-oxopropyl)-1,2-dihydropyridin-2-one
CID 60665626
2-(5-Bromo-2-oxopyridin-1(2H)-yl)acetamide
CID 9317383
N,N-diethyl-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
CID 84313826
2-(5-fluoro-2-oxo-1-pyridinyl)-N,N-dipropylacetamide
CID 84313858
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 86833585
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
CID 53605615
5-Bromo-1-ethylpyridin-2(1H)-one
CID 12210536
5-Bromo-1-butylpyridin-2-one
CID 13024028

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide (CID 60627635) is 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The InChIKey is IHESJMYZQWXMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-11(2)9(14)6-12-5-7(10)3-4-8(12)13/h3-5H,6H2,1-2H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
2-(5-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-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide is sourced from PubChem (CID 60627635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).