2-bromo-5-chloro-4-hydroxybenzoic acid

C7H4BrClO3 — CID 131397859

IUPAC2-bromo-5-chloro-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)cc1Br
InChIInChI=1S/C7H4BrClO3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10H,(H,11,12)
InChIKeySDSXODGRLPRPCL-UHFFFAOYSA-N
MW251.46 g/mol
LogP2.51
Rot. Bonds1

About 2-bromo-5-chloro-4-hydroxybenzoic acid

2-bromo-5-chloro-4-hydroxybenzoic acid (PubChem CID 131397859) has the molecular formula C7H4BrClO3 and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-bromo-5-chloro-4-hydroxybenzoic acid
PubChem CID131397859
Molecular FormulaC7H4BrClO3
Molecular Weight251.46 g/mol
Exact Mass249.90
IUPAC Name2-bromo-5-chloro-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)cc1Br
InChIInChI=1S/C7H4BrClO3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10H,(H,11,12)
InChIKeySDSXODGRLPRPCL-UHFFFAOYSA-N
XLogP2.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-4-chlorobenzoic acid
CID 118497106
2-bromo-4-fluoro-5-hydroxybenzoic acid
CID 66545185
bis(5-chloro-2,4-dihydroxyphenyl)methanone
CID 101362885
5-bromo-2-(4-bromo-2-carboxy-5-chlorophenyl)-4-chlorobenzoic acid
CID 142721146
2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
CID 159753052
4-bromo-5-chloro-2-sulfanylbenzoic acid;hydrochloride
CID 159562776
3-bromo-6-chloronaphthalene-2-carboxylic acid
CID 175483572
4-Bromo-2,5-dichlorophenol sodium salt
CID 6335915
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077
2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117305831
2-amino-4-bromo-3,5-dichlorobenzoic acid
CID 118019194
5-bromo-4,6-dichlorobenzene-1,3-dicarboxylic acid
CID 21417330

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-hydroxybenzoic acid?
The IUPAC name of 2-bromo-5-chloro-4-hydroxybenzoic acid (CID 131397859) is 2-bromo-5-chloro-4-hydroxybenzoic acid.
What is the SMILES notation for 2-bromo-5-chloro-4-hydroxybenzoic acid?
The canonical SMILES for 2-bromo-5-chloro-4-hydroxybenzoic acid is O=C(O)c1cc(Cl)c(O)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-4-hydroxybenzoic acid?
The InChIKey is SDSXODGRLPRPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10H,(H,11,12).
What are the key properties of 2-bromo-5-chloro-4-hydroxybenzoic acid?
2-bromo-5-chloro-4-hydroxybenzoic acid has a molecular weight of 251.46 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-hydroxybenzoic acid is sourced from PubChem (CID 131397859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).