(2-fluoro-3-pyridinyl)oxy-phenylborinic acid

C11H9BFNO2 — CID 69083171

IUPAC(2-fluoro-3-pyridinyl)oxy-phenylborinic acid
SMILESOB(Oc1cccnc1F)c1ccccc1
InChIInChI=1S/C11H9BFNO2/c13-11-10(7-4-8-14-11)16-12(15)9-5-2-1-3-6-9/h1-8,15H
InChIKeyJFPAZPFRCYNZEX-UHFFFAOYSA-N
MW217.01 g/mol
LogP0.99
Rot. Bonds3

About (2-fluoro-3-pyridinyl)oxy-phenylborinic acid

(2-fluoro-3-pyridinyl)oxy-phenylborinic acid (PubChem CID 69083171) has the molecular formula C11H9BFNO2 and a molecular weight of 217.01 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl)oxy-phenylborinic acid.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl)oxy-phenylborinic acid
PubChem CID69083171
Molecular FormulaC11H9BFNO2
Molecular Weight217.01 g/mol
Exact Mass217.07
IUPAC Name(2-fluoro-3-pyridinyl)oxy-phenylborinic acid
SMILESOB(Oc1cccnc1F)c1ccccc1
InChIInChI=1S/C11H9BFNO2/c13-11-10(7-4-8-14-11)16-12(15)9-5-2-1-3-6-9/h1-8,15H
InChIKeyJFPAZPFRCYNZEX-UHFFFAOYSA-N
XLogP0.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.01
LogP ≤ 50.99
H-Bond Donors ≤ 51
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 (2-fluoro-3-pyridinyl)oxy-phenylborinic acid?
The IUPAC name of (2-fluoro-3-pyridinyl)oxy-phenylborinic acid (CID 69083171) is (2-fluoro-3-pyridinyl)oxy-phenylborinic acid.
What is the SMILES notation for (2-fluoro-3-pyridinyl)oxy-phenylborinic acid?
The canonical SMILES for (2-fluoro-3-pyridinyl)oxy-phenylborinic acid is OB(Oc1cccnc1F)c1ccccc1.
What is the InChIKey of (2-fluoro-3-pyridinyl)oxy-phenylborinic acid?
The InChIKey is JFPAZPFRCYNZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BFNO2/c13-11-10(7-4-8-14-11)16-12(15)9-5-2-1-3-6-9/h1-8,15H.
What are the key properties of (2-fluoro-3-pyridinyl)oxy-phenylborinic acid?
(2-fluoro-3-pyridinyl)oxy-phenylborinic acid has a molecular weight of 217.01 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyridinyl)oxy-phenylborinic acid is sourced from PubChem (CID 69083171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).