(5-bromo-2-fluoro-3-pyridinyl)boronic acid

C5H4BBrFNO2 — CID 2783242

IUPAC(5-bromo-2-fluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1cc(Br)cnc1F
InChIInChI=1S/C5H4BBrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H
InChIKeyYAXKWQSQZIVTFC-UHFFFAOYSA-N
MW219.81 g/mol
LogP-0.34
Rot. Bonds1

About (5-bromo-2-fluoro-3-pyridinyl)boronic acid

(5-bromo-2-fluoro-3-pyridinyl)boronic acid (PubChem CID 2783242) has the molecular formula C5H4BBrFNO2 and a molecular weight of 219.81 g/mol. Its IUPAC name is (5-bromo-2-fluoro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-bromo-2-fluoro-3-pyridinyl)boronic acid
PubChem CID2783242
Molecular FormulaC5H4BBrFNO2
Molecular Weight219.81 g/mol
Exact Mass218.95
IUPAC Name(5-bromo-2-fluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1cc(Br)cnc1F
InChIInChI=1S/C5H4BBrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H
InChIKeyYAXKWQSQZIVTFC-UHFFFAOYSA-N
XLogP-0.34
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.81
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluoro-3-pyridinyl)boronic acid?
The IUPAC name of (5-bromo-2-fluoro-3-pyridinyl)boronic acid (CID 2783242) is (5-bromo-2-fluoro-3-pyridinyl)boronic acid.
What is the SMILES notation for (5-bromo-2-fluoro-3-pyridinyl)boronic acid?
The canonical SMILES for (5-bromo-2-fluoro-3-pyridinyl)boronic acid is OB(O)c1cc(Br)cnc1F.
What is the InChIKey of (5-bromo-2-fluoro-3-pyridinyl)boronic acid?
The InChIKey is YAXKWQSQZIVTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BBrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H.
What are the key properties of (5-bromo-2-fluoro-3-pyridinyl)boronic acid?
(5-bromo-2-fluoro-3-pyridinyl)boronic acid has a molecular weight of 219.81 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 2783242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).