2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide

C10H13BrN2O2 — CID 167266075

IUPAC2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(Br)cn(C)c1=O
InChIInChI=1S/C10H13BrN2O2/c1-12(2)9(14)5-7-4-8(11)6-13(3)10(7)15/h4,6H,5H2,1-3H3
InChIKeyUHZMLRPEVBVKRY-UHFFFAOYSA-N
MW273.13 g/mol
LogP0.78
Rot. Bonds2

About 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide

2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide (PubChem CID 167266075) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide
PubChem CID167266075
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(Br)cn(C)c1=O
InChIInChI=1S/C10H13BrN2O2/c1-12(2)9(14)5-7-4-8(11)6-13(3)10(7)15/h4,6H,5H2,1-3H3
InChIKeyUHZMLRPEVBVKRY-UHFFFAOYSA-N
XLogP0.78
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide (CID 167266075) is 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1cc(Br)cn(C)c1=O.
What is the InChIKey of 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide?
The InChIKey is UHZMLRPEVBVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-12(2)9(14)5-7-4-8(11)6-13(3)10(7)15/h4,6H,5H2,1-3H3.
What are the key properties of 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide?
2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide has a molecular weight of 273.13 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide is sourced from PubChem (CID 167266075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).