5-borono-2-hydroxybenzoic acid

C7H7BO5 — CID 74892182

IUPAC5-borono-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(B(O)O)ccc1O
InChIInChI=1S/C7H7BO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9,12-13H,(H,10,11)
InChIKeyWKIWUEDFDMUMRM-UHFFFAOYSA-N
MW181.94 g/mol
LogP-1.23
Rot. Bonds2

About 5-borono-2-hydroxybenzoic acid

5-borono-2-hydroxybenzoic acid (PubChem CID 74892182) has the molecular formula C7H7BO5 and a molecular weight of 181.94 g/mol. Its IUPAC name is 5-borono-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-borono-2-hydroxybenzoic acid
PubChem CID74892182
Molecular FormulaC7H7BO5
Molecular Weight181.94 g/mol
Exact Mass182.04
IUPAC Name5-borono-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(B(O)O)ccc1O
InChIInChI=1S/C7H7BO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9,12-13H,(H,10,11)
InChIKeyWKIWUEDFDMUMRM-UHFFFAOYSA-N
XLogP-1.23
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.94
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3,4-dihydroxyphenyl)boronic acid
CID 57416308
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2,5-dihydroxybenzoic acid;methanol
CID 174970806
7-borononaphthalene-1-carboxylic acid
CID 71291408
bis(2-hydroxy-5-iodobenzoic acid);zinc
CID 168801294
CID 172784976
CID 172784976
2-hydroxybenzoic acid;praseodymium
CID 87786006
boric acid;bis(2-hydroxybenzoic acid);zinc
CID 5360530
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378

Frequently Asked Questions

What is the IUPAC name of 5-borono-2-hydroxybenzoic acid?
The IUPAC name of 5-borono-2-hydroxybenzoic acid (CID 74892182) is 5-borono-2-hydroxybenzoic acid.
What is the SMILES notation for 5-borono-2-hydroxybenzoic acid?
The canonical SMILES for 5-borono-2-hydroxybenzoic acid is O=C(O)c1cc(B(O)O)ccc1O.
What is the InChIKey of 5-borono-2-hydroxybenzoic acid?
The InChIKey is WKIWUEDFDMUMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9,12-13H,(H,10,11).
What are the key properties of 5-borono-2-hydroxybenzoic acid?
5-borono-2-hydroxybenzoic acid has a molecular weight of 181.94 g/mol, XLogP of -1.23, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-borono-2-hydroxybenzoic acid is sourced from PubChem (CID 74892182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).