(5-fluoro-2-pyridinyl)boronic acid

C5H5BFNO2 — CID 22832110

IUPAC(5-fluoro-2-pyridinyl)boronic acid
SMILESOB(O)c1ccc(F)cn1
InChIInChI=1S/C5H5BFNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3,9-10H
InChIKeyKMLSWNVKDXKWGY-UHFFFAOYSA-N
MW140.91 g/mol
LogP-1.10
Rot. Bonds1

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

(5-fluoro-2-pyridinyl)boronic acid (PubChem CID 22832110) has the molecular formula C5H5BFNO2 and a molecular weight of 140.91 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)boronic acid
PubChem CID22832110
Molecular FormulaC5H5BFNO2
Molecular Weight140.91 g/mol
Exact Mass141.04
IUPAC Name(5-fluoro-2-pyridinyl)boronic acid
SMILESOB(O)c1ccc(F)cn1
InChIInChI=1S/C5H5BFNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3,9-10H
InChIKeyKMLSWNVKDXKWGY-UHFFFAOYSA-N
XLogP-1.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.91
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (5-fluoro-2-pyridinyl)boronic acid?
The IUPAC name of (5-fluoro-2-pyridinyl)boronic acid (CID 22832110) is (5-fluoro-2-pyridinyl)boronic acid.
What is the SMILES notation for (5-fluoro-2-pyridinyl)boronic acid?
The canonical SMILES for (5-fluoro-2-pyridinyl)boronic acid is OB(O)c1ccc(F)cn1.
What is the InChIKey of (5-fluoro-2-pyridinyl)boronic acid?
The InChIKey is KMLSWNVKDXKWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BFNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3,9-10H.
What are the key properties of (5-fluoro-2-pyridinyl)boronic acid?
(5-fluoro-2-pyridinyl)boronic acid has a molecular weight of 140.91 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)boronic acid is sourced from PubChem (CID 22832110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).