methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate

C8H8BrNO3 — CID 28834262

IUPACmethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H8BrNO3/c1-13-8(12)5-10-4-6(9)2-3-7(10)11/h2-4H,5H2,1H3
InChIKeyVCMOARQLMCGDMD-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.78
Rot. Bonds2

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

methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate (PubChem CID 28834262) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
PubChem CID28834262
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Namemethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H8BrNO3/c1-13-8(12)5-10-4-6(9)2-3-7(10)11/h2-4H,5H2,1H3
InChIKeyVCMOARQLMCGDMD-UHFFFAOYSA-N
XLogP0.78
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate (CID 28834262) is methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate is COC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
The InChIKey is VCMOARQLMCGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-13-8(12)5-10-4-6(9)2-3-7(10)11/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate has a molecular weight of 246.06 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 28834262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).