2-hydroxy-5H-oxaborole

C3H5BO2 — CID 146020022

IUPAC2-hydroxy-5H-oxaborole
SMILESOB1C=CCO1
InChIInChI=1S/C3H5BO2/c5-4-2-1-3-6-4/h1-2,5H,3H2
InChIKeyMGISNSGPGUAAPW-UHFFFAOYSA-N
MW83.88 g/mol
LogP-0.41
Rot. Bonds

About 2-hydroxy-5H-oxaborole

2-hydroxy-5H-oxaborole (PubChem CID 146020022) has the molecular formula C3H5BO2 and a molecular weight of 83.88 g/mol. Its IUPAC name is 2-hydroxy-5H-oxaborole.

Molecular Properties

Compound Name2-hydroxy-5H-oxaborole
PubChem CID146020022
Molecular FormulaC3H5BO2
Molecular Weight83.88 g/mol
Exact Mass84.04
IUPAC Name2-hydroxy-5H-oxaborole
SMILESOB1C=CCO1
InChIInChI=1S/C3H5BO2/c5-4-2-1-3-6-4/h1-2,5H,3H2
InChIKeyMGISNSGPGUAAPW-UHFFFAOYSA-N
XLogP-0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.88
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5H-oxaborole?
The IUPAC name of 2-hydroxy-5H-oxaborole (CID 146020022) is 2-hydroxy-5H-oxaborole.
What is the SMILES notation for 2-hydroxy-5H-oxaborole?
The canonical SMILES for 2-hydroxy-5H-oxaborole is OB1C=CCO1.
What is the InChIKey of 2-hydroxy-5H-oxaborole?
The InChIKey is MGISNSGPGUAAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BO2/c5-4-2-1-3-6-4/h1-2,5H,3H2.
What are the key properties of 2-hydroxy-5H-oxaborole?
2-hydroxy-5H-oxaborole has a molecular weight of 83.88 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5H-oxaborole is sourced from PubChem (CID 146020022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).