methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate

C8H9BrO3S — CID 14154189

IUPACmethyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(Br)c1OC
InChIInChI=1S/C8H9BrO3S/c1-4-5(9)6(11-2)7(13-4)8(10)12-3/h1-3H3
InChIKeyYCJSWJOZRPKBBZ-UHFFFAOYSA-N
MW265.13 g/mol
LogP2.61
Rot. Bonds2

About methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate

methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate (PubChem CID 14154189) has the molecular formula C8H9BrO3S and a molecular weight of 265.13 g/mol. Its IUPAC name is methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate
PubChem CID14154189
Molecular FormulaC8H9BrO3S
Molecular Weight265.13 g/mol
Exact Mass263.95
IUPAC Namemethyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(Br)c1OC
InChIInChI=1S/C8H9BrO3S/c1-4-5(9)6(11-2)7(13-4)8(10)12-3/h1-3H3
InChIKeyYCJSWJOZRPKBBZ-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate?
The IUPAC name of methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate (CID 14154189) is methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate is COC(=O)c1sc(C)c(Br)c1OC.
What is the InChIKey of methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate?
The InChIKey is YCJSWJOZRPKBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3S/c1-4-5(9)6(11-2)7(13-4)8(10)12-3/h1-3H3.
What are the key properties of methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate?
methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate has a molecular weight of 265.13 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-3-methoxy-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 14154189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).