2,5-dibromobenzoic acid

C7H4Br2O2 — CID 11891

IUPAC2,5-dibromobenzoic acid
SMILESO=C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C7H4Br2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKeySQQKOTVDGCJJKI-UHFFFAOYSA-N
MW279.92 g/mol
LogP2.91
Rot. Bonds1

About 2,5-dibromobenzoic acid

2,5-dibromobenzoic acid (PubChem CID 11891) has the molecular formula C7H4Br2O2 and a molecular weight of 279.92 g/mol. Its IUPAC name is 2,5-dibromobenzoic acid.

Molecular Properties

Compound Name2,5-dibromobenzoic acid
PubChem CID11891
Molecular FormulaC7H4Br2O2
Molecular Weight279.92 g/mol
Exact Mass277.86
IUPAC Name2,5-dibromobenzoic acid
SMILESO=C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C7H4Br2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKeySQQKOTVDGCJJKI-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.92
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromobenzoic acid
CID 11464
2-Bromobenzoic acid
CID 6940
3-Bromobenzoic acid
CID 11456
Methyl 2-bromobenzoate
CID 11894
Methyl 3-bromobenzoate
CID 12070
Benzoic acid, 3,5-dibromo-
CID 12063
benzoic acid, p-bromo-, sodium salt
CID 23690998
4-Bromo-1,3-benzenedicarboxylic acid
CID 81361
2-Bromobenzene-1,3-dicarboxylic acid
CID 329530
4-Bromophthalic acid
CID 81428
4-Bromo-2-methylbenzoic acid
CID 99570
2-Bromo-4-methylbenzoic acid
CID 226292

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromobenzoic acid?
The IUPAC name of 2,5-dibromobenzoic acid (CID 11891) is 2,5-dibromobenzoic acid.
What is the SMILES notation for 2,5-dibromobenzoic acid?
The canonical SMILES for 2,5-dibromobenzoic acid is O=C(O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromobenzoic acid?
The InChIKey is SQQKOTVDGCJJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11).
What are the key properties of 2,5-dibromobenzoic acid?
2,5-dibromobenzoic acid has a molecular weight of 279.92 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromobenzoic acid is sourced from PubChem (CID 11891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).