[6-(4-fluorophenyl)-3-pyridinyl]boronic acid

C11H9BFNO2 — CID 44755182

IUPAC[6-(4-fluorophenyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C11H9BFNO2/c13-10-4-1-8(2-5-10)11-6-3-9(7-14-11)12(15)16/h1-7,15-16H
InChIKeyCOZZGWRIBKHUFL-UHFFFAOYSA-N
MW217.01 g/mol
LogP0.57
Rot. Bonds2

About [6-(4-fluorophenyl)-3-pyridinyl]boronic acid

[6-(4-fluorophenyl)-3-pyridinyl]boronic acid (PubChem CID 44755182) has the molecular formula C11H9BFNO2 and a molecular weight of 217.01 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-3-pyridinyl]boronic acid
PubChem CID44755182
Molecular FormulaC11H9BFNO2
Molecular Weight217.01 g/mol
Exact Mass217.07
IUPAC Name[6-(4-fluorophenyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C11H9BFNO2/c13-10-4-1-8(2-5-10)11-6-3-9(7-14-11)12(15)16/h1-7,15-16H
InChIKeyCOZZGWRIBKHUFL-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 [6-(4-fluorophenyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(4-fluorophenyl)-3-pyridinyl]boronic acid (CID 44755182) is [6-(4-fluorophenyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(4-fluorophenyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(4-fluorophenyl)-3-pyridinyl]boronic acid is OB(O)c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of [6-(4-fluorophenyl)-3-pyridinyl]boronic acid?
The InChIKey is COZZGWRIBKHUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BFNO2/c13-10-4-1-8(2-5-10)11-6-3-9(7-14-11)12(15)16/h1-7,15-16H.
What are the key properties of [6-(4-fluorophenyl)-3-pyridinyl]boronic acid?
[6-(4-fluorophenyl)-3-pyridinyl]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 [6-(4-fluorophenyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 44755182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).