3,5-dibromo-2,4-dihydroxybenzoic acid

C7H4Br2O4 — CID 3379773

IUPAC3,5-dibromo-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C7H4Br2O4/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1,10-11H,(H,12,13)
InChIKeyQFRWOMSBYNAESH-UHFFFAOYSA-N
MW311.91 g/mol
LogP2.32
Rot. Bonds1

About 3,5-dibromo-2,4-dihydroxybenzoic acid

3,5-dibromo-2,4-dihydroxybenzoic acid (PubChem CID 3379773) has the molecular formula C7H4Br2O4 and a molecular weight of 311.91 g/mol. Its IUPAC name is 3,5-dibromo-2,4-dihydroxybenzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2,4-dihydroxybenzoic acid
PubChem CID3379773
Molecular FormulaC7H4Br2O4
Molecular Weight311.91 g/mol
Exact Mass309.85
IUPAC Name3,5-dibromo-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C7H4Br2O4/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1,10-11H,(H,12,13)
InChIKeyQFRWOMSBYNAESH-UHFFFAOYSA-N
XLogP2.32
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.91
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2,4-dihydroxybenzoic acid?
The IUPAC name of 3,5-dibromo-2,4-dihydroxybenzoic acid (CID 3379773) is 3,5-dibromo-2,4-dihydroxybenzoic acid.
What is the SMILES notation for 3,5-dibromo-2,4-dihydroxybenzoic acid?
The canonical SMILES for 3,5-dibromo-2,4-dihydroxybenzoic acid is O=C(O)c1cc(Br)c(O)c(Br)c1O.
What is the InChIKey of 3,5-dibromo-2,4-dihydroxybenzoic acid?
The InChIKey is QFRWOMSBYNAESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O4/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1,10-11H,(H,12,13).
What are the key properties of 3,5-dibromo-2,4-dihydroxybenzoic acid?
3,5-dibromo-2,4-dihydroxybenzoic acid has a molecular weight of 311.91 g/mol, XLogP of 2.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2,4-dihydroxybenzoic acid is sourced from PubChem (CID 3379773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).