3-bromo-4-chloro-2-hydroxybenzoic acid

C7H4BrClO3 — CID 131396911

IUPAC3-bromo-4-chloro-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Cl)c(Br)c1O
InChIInChI=1S/C7H4BrClO3/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,10H,(H,11,12)
InChIKeyZCGCZEXLAMZMBV-UHFFFAOYSA-N
MW251.46 g/mol
LogP2.51
Rot. Bonds1

About 3-bromo-4-chloro-2-hydroxybenzoic acid

3-bromo-4-chloro-2-hydroxybenzoic acid (PubChem CID 131396911) has the molecular formula C7H4BrClO3 and a molecular weight of 251.46 g/mol. Its IUPAC name is 3-bromo-4-chloro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-bromo-4-chloro-2-hydroxybenzoic acid
PubChem CID131396911
Molecular FormulaC7H4BrClO3
Molecular Weight251.46 g/mol
Exact Mass249.90
IUPAC Name3-bromo-4-chloro-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Cl)c(Br)c1O
InChIInChI=1S/C7H4BrClO3/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,10H,(H,11,12)
InChIKeyZCGCZEXLAMZMBV-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

3-bromo-2,4-dihydroxybenzoic acid
CID 90007527
methyl 3-bromo-4-chloro-2-hydroxybenzoate
CID 171027268
2,4-dibromo-3-hydroxybenzoic acid
CID 14851210
sodium;2,3-dihydroxyterephthalic acid;hydride
CID 175464540
5-bromo-4,6-dichlorobenzene-1,3-dicarboxylic acid
CID 21417330
8-bromo-7-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 103481174
4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid
CID 141207283
4-chloro-2-ethyl-3-hydroxybenzoic acid
CID 174469710
4-amino-3-chloro-2-hydroxybenzoic acid
CID 54442590
CID 67856266
CID 67856266
2-bromo-3-chloro-6-iodobenzoic acid
CID 131588144
4,5-dichloronaphthalene-1-carboxylic acid
CID 56990997

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-2-hydroxybenzoic acid?
The IUPAC name of 3-bromo-4-chloro-2-hydroxybenzoic acid (CID 131396911) is 3-bromo-4-chloro-2-hydroxybenzoic acid.
What is the SMILES notation for 3-bromo-4-chloro-2-hydroxybenzoic acid?
The canonical SMILES for 3-bromo-4-chloro-2-hydroxybenzoic acid is O=C(O)c1ccc(Cl)c(Br)c1O.
What is the InChIKey of 3-bromo-4-chloro-2-hydroxybenzoic acid?
The InChIKey is ZCGCZEXLAMZMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO3/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,10H,(H,11,12).
What are the key properties of 3-bromo-4-chloro-2-hydroxybenzoic acid?
3-bromo-4-chloro-2-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 3-bromo-4-chloro-2-hydroxybenzoic acid is sourced from PubChem (CID 131396911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).