[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid

C11H7BF3NO2 — CID 11637419

IUPAC[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(F)c(-c2ncc(F)cc2F)c1
InChIInChI=1S/C11H7BF3NO2/c13-7-4-10(15)11(16-5-7)8-3-6(12(17)18)1-2-9(8)14/h1-5,17-18H
InChIKeyJVHNKZBMDNRVRP-UHFFFAOYSA-N
MW252.99 g/mol
LogP0.85
Rot. Bonds2

About [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid

[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid (PubChem CID 11637419) has the molecular formula C11H7BF3NO2 and a molecular weight of 252.99 g/mol. Its IUPAC name is [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid
PubChem CID11637419
Molecular FormulaC11H7BF3NO2
Molecular Weight252.99 g/mol
Exact Mass253.05
IUPAC Name[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(F)c(-c2ncc(F)cc2F)c1
InChIInChI=1S/C11H7BF3NO2/c13-7-4-10(15)11(16-5-7)8-3-6(12(17)18)1-2-9(8)14/h1-5,17-18H
InChIKeyJVHNKZBMDNRVRP-UHFFFAOYSA-N
XLogP0.85
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.99
LogP ≤ 50.85
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 [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid?
The IUPAC name of [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid (CID 11637419) is [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid.
What is the SMILES notation for [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid?
The canonical SMILES for [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid is OB(O)c1ccc(F)c(-c2ncc(F)cc2F)c1.
What is the InChIKey of [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid?
The InChIKey is JVHNKZBMDNRVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BF3NO2/c13-7-4-10(15)11(16-5-7)8-3-6(12(17)18)1-2-9(8)14/h1-5,17-18H.
What are the key properties of [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid?
[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid has a molecular weight of 252.99 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid is sourced from PubChem (CID 11637419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).