[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid

C11H8BF2NO2 — CID 11593861

IUPAC[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid
SMILESOB(O)c1ccc(F)c(-c2ncccc2F)c1
InChIInChI=1S/C11H8BF2NO2/c13-9-4-3-7(12(16)17)6-8(9)11-10(14)2-1-5-15-11/h1-6,16-17H
InChIKeyMUBVHFXIZHDEGM-UHFFFAOYSA-N
MW235.00 g/mol
LogP0.71
Rot. Bonds2

About [4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid

[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid (PubChem CID 11593861) has the molecular formula C11H8BF2NO2 and a molecular weight of 235.00 g/mol. Its IUPAC name is [4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid
PubChem CID11593861
Molecular FormulaC11H8BF2NO2
Molecular Weight235.00 g/mol
Exact Mass235.06
IUPAC Name[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid
SMILESOB(O)c1ccc(F)c(-c2ncccc2F)c1
InChIInChI=1S/C11H8BF2NO2/c13-9-4-3-7(12(16)17)6-8(9)11-10(14)2-1-5-15-11/h1-6,16-17H
InChIKeyMUBVHFXIZHDEGM-UHFFFAOYSA-N
XLogP0.71
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.00
LogP ≤ 50.71
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-(3-fluoro-2-pyridinyl)phenyl]boronic acid?
The IUPAC name of [4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid (CID 11593861) is [4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid.
What is the SMILES notation for [4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid?
The canonical SMILES for [4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid is OB(O)c1ccc(F)c(-c2ncccc2F)c1.
What is the InChIKey of [4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid?
The InChIKey is MUBVHFXIZHDEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BF2NO2/c13-9-4-3-7(12(16)17)6-8(9)11-10(14)2-1-5-15-11/h1-6,16-17H.
What are the key properties of [4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid?
[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid has a molecular weight of 235.00 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]boronic acid is sourced from PubChem (CID 11593861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).