dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate

C10H8BrClO4 — CID 15839798

IUPACdimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(Br)c(Cl)c(C(=O)OC)c1
InChIInChI=1S/C10H8BrClO4/c1-15-9(13)5-3-6(10(14)16-2)8(12)7(11)4-5/h3-4H,1-2H3
InChIKeyBWMXSPOMSSQQFM-UHFFFAOYSA-N
MW307.53 g/mol
LogP2.68
Rot. Bonds2

About dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate

dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate (PubChem CID 15839798) has the molecular formula C10H8BrClO4 and a molecular weight of 307.53 g/mol. Its IUPAC name is dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate
PubChem CID15839798
Molecular FormulaC10H8BrClO4
Molecular Weight307.53 g/mol
Exact Mass305.93
IUPAC Namedimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(Br)c(Cl)c(C(=O)OC)c1
InChIInChI=1S/C10H8BrClO4/c1-15-9(13)5-3-6(10(14)16-2)8(12)7(11)4-5/h3-4H,1-2H3
InChIKeyBWMXSPOMSSQQFM-UHFFFAOYSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate (CID 15839798) is dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate is COC(=O)c1cc(Br)c(Cl)c(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate?
The InChIKey is BWMXSPOMSSQQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO4/c1-15-9(13)5-3-6(10(14)16-2)8(12)7(11)4-5/h3-4H,1-2H3.
What are the key properties of dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate?
dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate has a molecular weight of 307.53 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate is sourced from PubChem (CID 15839798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).