3-bromo-2-hydroxybenzoic acid

C7H5BrO3 — CID 520927

IUPAC3-bromo-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(Br)c1O
InChIInChI=1S/C7H5BrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
InChIKeyBHPSQWRVKOPSOQ-UHFFFAOYSA-N
MW217.02 g/mol
LogP1.85
Rot. Bonds1

About 3-bromo-2-hydroxybenzoic acid

3-bromo-2-hydroxybenzoic acid (PubChem CID 520927) has the molecular formula C7H5BrO3 and a molecular weight of 217.02 g/mol. Its IUPAC name is 3-bromo-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-bromo-2-hydroxybenzoic acid
PubChem CID520927
Molecular FormulaC7H5BrO3
Molecular Weight217.02 g/mol
Exact Mass215.94
IUPAC Name3-bromo-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(Br)c1O
InChIInChI=1S/C7H5BrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
InChIKeyBHPSQWRVKOPSOQ-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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Related Compounds

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1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone
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CID 70118129
CID 70118129
2,4-dibromo-3-hydroxybenzoic acid
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carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
3-bromo-2-ethenylbenzoic acid
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3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
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2-hydroxy-3-prop-1-en-2-ylbenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxybenzoic acid?
The IUPAC name of 3-bromo-2-hydroxybenzoic acid (CID 520927) is 3-bromo-2-hydroxybenzoic acid.
What is the SMILES notation for 3-bromo-2-hydroxybenzoic acid?
The canonical SMILES for 3-bromo-2-hydroxybenzoic acid is O=C(O)c1cccc(Br)c1O.
What is the InChIKey of 3-bromo-2-hydroxybenzoic acid?
The InChIKey is BHPSQWRVKOPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11).
What are the key properties of 3-bromo-2-hydroxybenzoic acid?
3-bromo-2-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 3-bromo-2-hydroxybenzoic acid is sourced from PubChem (CID 520927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).