(4-fluoro-3-pyridin-3-ylphenyl)boronic acid

C11H9BFNO2 — CID 22473573

IUPAC(4-fluoro-3-pyridin-3-ylphenyl)boronic acid
SMILESOB(O)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C11H9BFNO2/c13-11-4-3-9(12(15)16)6-10(11)8-2-1-5-14-7-8/h1-7,15-16H
InChIKeyCZKIVUWNWMQTKW-UHFFFAOYSA-N
MW217.01 g/mol
LogP0.57
Rot. Bonds2

About (4-fluoro-3-pyridin-3-ylphenyl)boronic acid

(4-fluoro-3-pyridin-3-ylphenyl)boronic acid (PubChem CID 22473573) has the molecular formula C11H9BFNO2 and a molecular weight of 217.01 g/mol. Its IUPAC name is (4-fluoro-3-pyridin-3-ylphenyl)boronic acid.

Molecular Properties

Compound Name(4-fluoro-3-pyridin-3-ylphenyl)boronic acid
PubChem CID22473573
Molecular FormulaC11H9BFNO2
Molecular Weight217.01 g/mol
Exact Mass217.07
IUPAC Name(4-fluoro-3-pyridin-3-ylphenyl)boronic acid
SMILESOB(O)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C11H9BFNO2/c13-11-4-3-9(12(15)16)6-10(11)8-2-1-5-14-7-8/h1-7,15-16H
InChIKeyCZKIVUWNWMQTKW-UHFFFAOYSA-N
XLogP0.57
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.01
LogP ≤ 50.57
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 (4-fluoro-3-pyridin-3-ylphenyl)boronic acid?
The IUPAC name of (4-fluoro-3-pyridin-3-ylphenyl)boronic acid (CID 22473573) is (4-fluoro-3-pyridin-3-ylphenyl)boronic acid.
What is the SMILES notation for (4-fluoro-3-pyridin-3-ylphenyl)boronic acid?
The canonical SMILES for (4-fluoro-3-pyridin-3-ylphenyl)boronic acid is OB(O)c1ccc(F)c(-c2cccnc2)c1.
What is the InChIKey of (4-fluoro-3-pyridin-3-ylphenyl)boronic acid?
The InChIKey is CZKIVUWNWMQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BFNO2/c13-11-4-3-9(12(15)16)6-10(11)8-2-1-5-14-7-8/h1-7,15-16H.
What are the key properties of (4-fluoro-3-pyridin-3-ylphenyl)boronic acid?
(4-fluoro-3-pyridin-3-ylphenyl)boronic acid has a molecular weight of 217.01 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-pyridin-3-ylphenyl)boronic acid is sourced from PubChem (CID 22473573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).