methyl 4,5-dibromofuran-2-carboxylate

C6H4Br2O3 — CID 4135083

IUPACmethyl 4,5-dibromofuran-2-carboxylate
SMILESCOC(=O)c1cc(Br)c(Br)o1
InChIInChI=1S/C6H4Br2O3/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
InChIKeyOIOPUTCGINQNRL-UHFFFAOYSA-N
MW283.90 g/mol
LogP2.59
Rot. Bonds1

About methyl 4,5-dibromofuran-2-carboxylate

methyl 4,5-dibromofuran-2-carboxylate (PubChem CID 4135083) has the molecular formula C6H4Br2O3 and a molecular weight of 283.90 g/mol. Its IUPAC name is methyl 4,5-dibromofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dibromofuran-2-carboxylate
PubChem CID4135083
Molecular FormulaC6H4Br2O3
Molecular Weight283.90 g/mol
Exact Mass281.85
IUPAC Namemethyl 4,5-dibromofuran-2-carboxylate
SMILESCOC(=O)c1cc(Br)c(Br)o1
InChIInChI=1S/C6H4Br2O3/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
InChIKeyOIOPUTCGINQNRL-UHFFFAOYSA-N
XLogP2.59
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.90
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dibromofuran-2-carboxylate?
The IUPAC name of methyl 4,5-dibromofuran-2-carboxylate (CID 4135083) is methyl 4,5-dibromofuran-2-carboxylate.
What is the SMILES notation for methyl 4,5-dibromofuran-2-carboxylate?
The canonical SMILES for methyl 4,5-dibromofuran-2-carboxylate is COC(=O)c1cc(Br)c(Br)o1.
What is the InChIKey of methyl 4,5-dibromofuran-2-carboxylate?
The InChIKey is OIOPUTCGINQNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O3/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3.
What are the key properties of methyl 4,5-dibromofuran-2-carboxylate?
methyl 4,5-dibromofuran-2-carboxylate has a molecular weight of 283.90 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dibromofuran-2-carboxylate is sourced from PubChem (CID 4135083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).