dimethyl 2,6-dibromobenzene-1,4-dicarboxylate

C10H8Br2O4 — CID 23245049

IUPACdimethyl 2,6-dibromobenzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(Br)c(C(=O)OC)c(Br)c1
InChIInChI=1S/C10H8Br2O4/c1-15-9(13)5-3-6(11)8(7(12)4-5)10(14)16-2/h3-4H,1-2H3
InChIKeyHZNYKTRFMZAGEX-UHFFFAOYSA-N
MW351.98 g/mol
LogP2.78
Rot. Bonds2

About dimethyl 2,6-dibromobenzene-1,4-dicarboxylate

dimethyl 2,6-dibromobenzene-1,4-dicarboxylate (PubChem CID 23245049) has the molecular formula C10H8Br2O4 and a molecular weight of 351.98 g/mol. Its IUPAC name is dimethyl 2,6-dibromobenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dibromobenzene-1,4-dicarboxylate
PubChem CID23245049
Molecular FormulaC10H8Br2O4
Molecular Weight351.98 g/mol
Exact Mass349.88
IUPAC Namedimethyl 2,6-dibromobenzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(Br)c(C(=O)OC)c(Br)c1
InChIInChI=1S/C10H8Br2O4/c1-15-9(13)5-3-6(11)8(7(12)4-5)10(14)16-2/h3-4H,1-2H3
InChIKeyHZNYKTRFMZAGEX-UHFFFAOYSA-N
XLogP2.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.98
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,5-dibromo-4-isocyanobenzoate
CID 139088496
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 3-bromo-4-hydroxy-5-(1-hydroxyethyl)benzoate
CID 163691960
dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate
CID 15839798
methyl 3-acetyl-5-bromo-4-hydroxybenzoate
CID 15818980
methyl 4-azido-3,5-dibromobenzoate
CID 15005123
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
methyl 2-bromo-4,6-difluorobenzoate
CID 97290200
methyl 2-bromo-4-(difluoromethyl)-6-fluorobenzoate
CID 131537933
methyl 3-bromo-5-chloro-4-(chloromethyl)benzoate
CID 171023317
methyl 2-bromo-6-methoxy-4-methylbenzoate
CID 131571663
methyl 7-bromo-3-methyl-1-benzofuran-5-carboxylate
CID 139561433

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dibromobenzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2,6-dibromobenzene-1,4-dicarboxylate (CID 23245049) is dimethyl 2,6-dibromobenzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dibromobenzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dibromobenzene-1,4-dicarboxylate is COC(=O)c1cc(Br)c(C(=O)OC)c(Br)c1.
What is the InChIKey of dimethyl 2,6-dibromobenzene-1,4-dicarboxylate?
The InChIKey is HZNYKTRFMZAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O4/c1-15-9(13)5-3-6(11)8(7(12)4-5)10(14)16-2/h3-4H,1-2H3.
What are the key properties of dimethyl 2,6-dibromobenzene-1,4-dicarboxylate?
dimethyl 2,6-dibromobenzene-1,4-dicarboxylate has a molecular weight of 351.98 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dibromobenzene-1,4-dicarboxylate is sourced from PubChem (CID 23245049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).