(6-fluoro-3-pyridinyl)boronic acid

C5H5BFNO2 — CID 2783397

IUPAC(6-fluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1ccc(F)nc1
InChIInChI=1S/C5H5BFNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChIKeyOJBYZWHAPXIJID-UHFFFAOYSA-N
MW140.91 g/mol
LogP-1.10
Rot. Bonds1

About (6-fluoro-3-pyridinyl)boronic acid

(6-fluoro-3-pyridinyl)boronic acid (PubChem CID 2783397) has the molecular formula C5H5BFNO2 and a molecular weight of 140.91 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)boronic acid
PubChem CID2783397
Molecular FormulaC5H5BFNO2
Molecular Weight140.91 g/mol
Exact Mass141.04
IUPAC Name(6-fluoro-3-pyridinyl)boronic acid
SMILESOB(O)c1ccc(F)nc1
InChIInChI=1S/C5H5BFNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChIKeyOJBYZWHAPXIJID-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Pyridine
CID 1049
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Pyridine N-Oxide
CID 12753
Dipyridinium dichromate
CID 159879
3-Vinylpyridine
CID 14272
Pyridine-D5
CID 558519
4-Pyridinealdoxime
CID 135460230
syn-2-Pyridinealdoxime
CID 135423666

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl)boronic acid?
The IUPAC name of (6-fluoro-3-pyridinyl)boronic acid (CID 2783397) is (6-fluoro-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-fluoro-3-pyridinyl)boronic acid?
The canonical SMILES for (6-fluoro-3-pyridinyl)boronic acid is OB(O)c1ccc(F)nc1.
What is the InChIKey of (6-fluoro-3-pyridinyl)boronic acid?
The InChIKey is OJBYZWHAPXIJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BFNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H.
What are the key properties of (6-fluoro-3-pyridinyl)boronic acid?
(6-fluoro-3-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 (6-fluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 2783397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).