2,5-dibromobenzene-1,3-dicarboxylic acid

C8H4Br2O4 — CID 22572011

IUPAC2,5-dibromobenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(Br)cc(C(=O)O)c1Br
InChIInChI=1S/C8H4Br2O4/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyMCBAPDGFMNMXOL-UHFFFAOYSA-N
MW323.92 g/mol
LogP2.61
Rot. Bonds2

About 2,5-dibromobenzene-1,3-dicarboxylic acid

2,5-dibromobenzene-1,3-dicarboxylic acid (PubChem CID 22572011) has the molecular formula C8H4Br2O4 and a molecular weight of 323.92 g/mol. Its IUPAC name is 2,5-dibromobenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dibromobenzene-1,3-dicarboxylic acid
PubChem CID22572011
Molecular FormulaC8H4Br2O4
Molecular Weight323.92 g/mol
Exact Mass321.85
IUPAC Name2,5-dibromobenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(Br)cc(C(=O)O)c1Br
InChIInChI=1S/C8H4Br2O4/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyMCBAPDGFMNMXOL-UHFFFAOYSA-N
XLogP2.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.92
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-3-methylbenzoic acid
CID 11850381
2,5-dibromo-3-chlorosulfonylbenzoic acid
CID 114356378
5-bromo-3-carbonochloridoyl-2-fluorobenzoic acid
CID 144713812
5-bromo-2-iodo-3-methylbenzoic acid
CID 51000141
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
3-borono-5-bromo-2-fluorobenzoic acid
CID 44558193
3,5-dibromo-2-methoxybenzoic acid
CID 643392
3,5-dibromo-2-prop-1-en-2-ylbenzoic acid
CID 177194264
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
CID 144689894
CID 144689894
5-bromo-4,6-dichlorobenzene-1,3-dicarboxylic acid
CID 21417330

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromobenzene-1,3-dicarboxylic acid?
The IUPAC name of 2,5-dibromobenzene-1,3-dicarboxylic acid (CID 22572011) is 2,5-dibromobenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2,5-dibromobenzene-1,3-dicarboxylic acid?
The canonical SMILES for 2,5-dibromobenzene-1,3-dicarboxylic acid is O=C(O)c1cc(Br)cc(C(=O)O)c1Br.
What is the InChIKey of 2,5-dibromobenzene-1,3-dicarboxylic acid?
The InChIKey is MCBAPDGFMNMXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2O4/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 2,5-dibromobenzene-1,3-dicarboxylic acid?
2,5-dibromobenzene-1,3-dicarboxylic acid has a molecular weight of 323.92 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromobenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 22572011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).