3-bromo-2,4-dihydroxybenzoic acid

C7H5BrO4 — CID 90007527

IUPAC3-bromo-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(Br)c1O
InChIInChI=1S/C7H5BrO4/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,9-10H,(H,11,12)
InChIKeyMMGBAAQRBGRLLA-UHFFFAOYSA-N
MW233.02 g/mol
LogP1.56
Rot. Bonds1

About 3-bromo-2,4-dihydroxybenzoic acid

3-bromo-2,4-dihydroxybenzoic acid (PubChem CID 90007527) has the molecular formula C7H5BrO4 and a molecular weight of 233.02 g/mol. Its IUPAC name is 3-bromo-2,4-dihydroxybenzoic acid.

Molecular Properties

Compound Name3-bromo-2,4-dihydroxybenzoic acid
PubChem CID90007527
Molecular FormulaC7H5BrO4
Molecular Weight233.02 g/mol
Exact Mass231.94
IUPAC Name3-bromo-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(Br)c1O
InChIInChI=1S/C7H5BrO4/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,9-10H,(H,11,12)
InChIKeyMMGBAAQRBGRLLA-UHFFFAOYSA-N
XLogP1.56
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-2-hydroxybenzoic acid
CID 131396911
3-amino-2-bromo-4-hydroxybenzoic acid
CID 84695246
2,4-dibromo-3-hydroxybenzoic acid
CID 14851210
2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid
CID 83901348
sodium;2,3-dihydroxyterephthalic acid;hydride
CID 175464540
4,5,8-trihydroxynaphthalene-1-carboxylic acid
CID 139775362
CID 67856266
CID 67856266
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
2,5-dihydroxynaphthalene-1,6-dicarboxylic acid
CID 53421925
3,4-dihydroxy-2-methylbenzoic acid
CID 10442073
5-deuterio-2,3-dihydroxybenzoic acid
CID 44540359
3,4-dihydroxyphthalic acid;nickel
CID 156700318

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-dihydroxybenzoic acid?
The IUPAC name of 3-bromo-2,4-dihydroxybenzoic acid (CID 90007527) is 3-bromo-2,4-dihydroxybenzoic acid.
What is the SMILES notation for 3-bromo-2,4-dihydroxybenzoic acid?
The canonical SMILES for 3-bromo-2,4-dihydroxybenzoic acid is O=C(O)c1ccc(O)c(Br)c1O.
What is the InChIKey of 3-bromo-2,4-dihydroxybenzoic acid?
The InChIKey is MMGBAAQRBGRLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO4/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,9-10H,(H,11,12).
What are the key properties of 3-bromo-2,4-dihydroxybenzoic acid?
3-bromo-2,4-dihydroxybenzoic acid has a molecular weight of 233.02 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-dihydroxybenzoic acid is sourced from PubChem (CID 90007527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).