dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate

C9H9BrO5 — CID 15707254

IUPACdimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate
SMILESCOC(=O)c1c(C)oc(Br)c1C(=O)OC
InChIInChI=1S/C9H9BrO5/c1-4-5(8(11)13-2)6(7(10)15-4)9(12)14-3/h1-3H3
InChIKeyDAHACDKGAKBHRM-UHFFFAOYSA-N
MW277.07 g/mol
LogP1.92
Rot. Bonds2

About dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate

dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate (PubChem CID 15707254) has the molecular formula C9H9BrO5 and a molecular weight of 277.07 g/mol. Its IUPAC name is dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate
PubChem CID15707254
Molecular FormulaC9H9BrO5
Molecular Weight277.07 g/mol
Exact Mass275.96
IUPAC Namedimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate
SMILESCOC(=O)c1c(C)oc(Br)c1C(=O)OC
InChIInChI=1S/C9H9BrO5/c1-4-5(8(11)13-2)6(7(10)15-4)9(12)14-3/h1-3H3
InChIKeyDAHACDKGAKBHRM-UHFFFAOYSA-N
XLogP1.92
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
methyl 4-iodo-2,5-dimethylfuran-3-carboxylate
CID 79016599
methyl 5-bromo-3-methyl-1,2-oxazole-4-carboxylate
CID 84685263
methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate
CID 20983611
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
methyl 2-bromo-3,4,5,6-tetramethylbenzoate
CID 617466
trimethyl 4,5,6-trimethylbenzene-1,2,3-tricarboxylate
CID 58142568
methyl 2,4-dimethylfuran-3-carboxylate
CID 13102221
methyl 2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylate
CID 30033226
methyl 5-(4-cyanophenyl)-2,4-dimethylfuran-3-carboxylate
CID 11149502
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
methyl 4-bromo-3,6-difluoro-2-methylbenzoate
CID 166077596

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate (CID 15707254) is dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate is COC(=O)c1c(C)oc(Br)c1C(=O)OC.
What is the InChIKey of dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate?
The InChIKey is DAHACDKGAKBHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO5/c1-4-5(8(11)13-2)6(7(10)15-4)9(12)14-3/h1-3H3.
What are the key properties of dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate?
dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate has a molecular weight of 277.07 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate is sourced from PubChem (CID 15707254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).