2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate

C16H17Br2N3O5 — CID 158269528

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
SMILESCNC(=O)Cn1cc(Br)ccc1=O.COC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrN2O2.C8H8BrNO3/c1-10-7(12)5-11-4-6(9)2-3-8(11)13;1-13-8(12)5-10-4-6(9)2-3-7(10)11/h2-4H,5H2,1H3,(H,10,12);2-4H,5H2,1H3
InChIKeyGIVWDCGGLCNRPW-UHFFFAOYSA-N
MW491.14 g/mol
LogP1.14
Rot. Bonds4

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

2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate (PubChem CID 158269528) has the molecular formula C16H17Br2N3O5 and a molecular weight of 491.14 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
PubChem CID158269528
Molecular FormulaC16H17Br2N3O5
Molecular Weight491.14 g/mol
Exact Mass488.95
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
SMILESCNC(=O)Cn1cc(Br)ccc1=O.COC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrN2O2.C8H8BrNO3/c1-10-7(12)5-11-4-6(9)2-3-8(11)13;1-13-8(12)5-10-4-6(9)2-3-7(10)11/h2-4H,5H2,1H3,(H,10,12);2-4H,5H2,1H3
InChIKeyGIVWDCGGLCNRPW-UHFFFAOYSA-N
XLogP1.14
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate (CID 158269528) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate is CNC(=O)Cn1cc(Br)ccc1=O.COC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
The InChIKey is GIVWDCGGLCNRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2.C8H8BrNO3/c1-10-7(12)5-11-4-6(9)2-3-8(11)13;1-13-8(12)5-10-4-6(9)2-3-7(10)11/h2-4H,5H2,1H3,(H,10,12);2-4H,5H2,1H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate has a molecular weight of 491.14 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 158269528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).