(2-bromo-5-fluorophenyl)boronic acid

C6H5BBrFO2 — CID 15869697

IUPAC(2-bromo-5-fluorophenyl)boronic acid
SMILESOB(O)c1cc(F)ccc1Br
InChIInChI=1S/C6H5BBrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H
InChIKeyNBWMJVDWOGDXIQ-UHFFFAOYSA-N
MW218.82 g/mol
LogP0.27
Rot. Bonds1

About (2-bromo-5-fluorophenyl)boronic acid

(2-bromo-5-fluorophenyl)boronic acid (PubChem CID 15869697) has the molecular formula C6H5BBrFO2 and a molecular weight of 218.82 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)boronic acid
PubChem CID15869697
Molecular FormulaC6H5BBrFO2
Molecular Weight218.82 g/mol
Exact Mass217.96
IUPAC Name(2-bromo-5-fluorophenyl)boronic acid
SMILESOB(O)c1cc(F)ccc1Br
InChIInChI=1S/C6H5BBrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H
InChIKeyNBWMJVDWOGDXIQ-UHFFFAOYSA-N
XLogP0.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.82
LogP ≤ 50.27
H-Bond Donors ≤ 52
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-bromo-5-fluorophenyl)boronic acid?
The IUPAC name of (2-bromo-5-fluorophenyl)boronic acid (CID 15869697) is (2-bromo-5-fluorophenyl)boronic acid.
What is the SMILES notation for (2-bromo-5-fluorophenyl)boronic acid?
The canonical SMILES for (2-bromo-5-fluorophenyl)boronic acid is OB(O)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)boronic acid?
The InChIKey is NBWMJVDWOGDXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BBrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H.
What are the key properties of (2-bromo-5-fluorophenyl)boronic acid?
(2-bromo-5-fluorophenyl)boronic acid has a molecular weight of 218.82 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)boronic acid is sourced from PubChem (CID 15869697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).