methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate

C7H6Br2O3S — CID 2808414

IUPACmethyl 4,5-dibromo-3-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(Br)c(Br)c1OC
InChIInChI=1S/C7H6Br2O3S/c1-11-4-3(8)6(9)13-5(4)7(10)12-2/h1-2H3
InChIKeyRDCDDWLASWJAGM-UHFFFAOYSA-N
MW330.00 g/mol
LogP3.07
Rot. Bonds2

About methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate

methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate (PubChem CID 2808414) has the molecular formula C7H6Br2O3S and a molecular weight of 330.00 g/mol. Its IUPAC name is methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dibromo-3-methoxythiophene-2-carboxylate
PubChem CID2808414
Molecular FormulaC7H6Br2O3S
Molecular Weight330.00 g/mol
Exact Mass327.84
IUPAC Namemethyl 4,5-dibromo-3-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(Br)c(Br)c1OC
InChIInChI=1S/C7H6Br2O3S/c1-11-4-3(8)6(9)13-5(4)7(10)12-2/h1-2H3
InChIKeyRDCDDWLASWJAGM-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.00
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate (CID 2808414) is methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate is COC(=O)c1sc(Br)c(Br)c1OC.
What is the InChIKey of methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate?
The InChIKey is RDCDDWLASWJAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O3S/c1-11-4-3(8)6(9)13-5(4)7(10)12-2/h1-2H3.
What are the key properties of methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate?
methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate has a molecular weight of 330.00 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate is sourced from PubChem (CID 2808414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).