4-bromo-3-hydroxybenzoic acid

C7H5BrO3 — CID 6420973

IUPAC4-bromo-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Br)c(O)c1
InChIInChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
InChIKeyPAJSESFUWIYFNF-UHFFFAOYSA-N
MW217.02 g/mol
LogP1.85
Rot. Bonds1

About 4-bromo-3-hydroxybenzoic acid

4-bromo-3-hydroxybenzoic acid (PubChem CID 6420973) has the molecular formula C7H5BrO3 and a molecular weight of 217.02 g/mol. Its IUPAC name is 4-bromo-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-bromo-3-hydroxybenzoic acid
PubChem CID6420973
Molecular FormulaC7H5BrO3
Molecular Weight217.02 g/mol
Exact Mass215.94
IUPAC Name4-bromo-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Br)c(O)c1
InChIInChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
InChIKeyPAJSESFUWIYFNF-UHFFFAOYSA-N
XLogP1.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxybenzoic acid?
The IUPAC name of 4-bromo-3-hydroxybenzoic acid (CID 6420973) is 4-bromo-3-hydroxybenzoic acid.
What is the SMILES notation for 4-bromo-3-hydroxybenzoic acid?
The canonical SMILES for 4-bromo-3-hydroxybenzoic acid is O=C(O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxybenzoic acid?
The InChIKey is PAJSESFUWIYFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11).
What are the key properties of 4-bromo-3-hydroxybenzoic acid?
4-bromo-3-hydroxybenzoic acid has a molecular weight of 217.02 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxybenzoic acid is sourced from PubChem (CID 6420973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).