methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate

C9H10BrNO3 — CID 131580081

IUPACmethyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(=O)n(C)cc1Br
InChIInChI=1S/C9H10BrNO3/c1-11-5-7(10)6(3-8(11)12)4-9(13)14-2/h3,5H,4H2,1-2H3
InChIKeyJWDQIPPNWMQLFF-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.86
Rot. Bonds2

About methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate

methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate (PubChem CID 131580081) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate
PubChem CID131580081
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namemethyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(=O)n(C)cc1Br
InChIInChI=1S/C9H10BrNO3/c1-11-5-7(10)6(3-8(11)12)4-9(13)14-2/h3,5H,4H2,1-2H3
InChIKeyJWDQIPPNWMQLFF-UHFFFAOYSA-N
XLogP0.86
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2,5-dibromo-4-(methylperoxymethyl)phenyl]acetate
CID 88955233
methyl 2-(5-bromo-2-fluoro-4-pyridinyl)acetate
CID 131074156
methyl 3-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoate
CID 156784307
methyl 2-(4-bromothiophen-3-yl)acetate
CID 130739135
methyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033944
methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
CID 154729409
methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate
CID 126586374
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
methyl 2-(2-bromo-4-cyano-5-fluorophenyl)acetate
CID 131256038
methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
CID 130631453
methyl 2-[5-bromo-2-(bromomethyl)-3-methylphenyl]acetate
CID 171023295
methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate
CID 82622884

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate (CID 131580081) is methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate is COC(=O)Cc1cc(=O)n(C)cc1Br.
What is the InChIKey of methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate?
The InChIKey is JWDQIPPNWMQLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-11-5-7(10)6(3-8(11)12)4-9(13)14-2/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate?
methyl 2-(5-bromo-1-methyl-2-oxo-4-pyridinyl)acetate has a molecular weight of 260.09 g/mol, XLogP of 0.86, 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-1-methyl-2-oxo-4-pyridinyl)acetate is sourced from PubChem (CID 131580081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).