(2-fluoro-5-formylphenyl)boronic acid

C7H6BFO3 — CID 2763240

IUPAC(2-fluoro-5-formylphenyl)boronic acid
SMILESO=Cc1ccc(F)c(B(O)O)c1
InChIInChI=1S/C7H6BFO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4,11-12H
InChIKeySQSWYWCEKCVQEA-UHFFFAOYSA-N
MW167.93 g/mol
LogP-0.68
Rot. Bonds2

About (2-fluoro-5-formylphenyl)boronic acid

(2-fluoro-5-formylphenyl)boronic acid (PubChem CID 2763240) has the molecular formula C7H6BFO3 and a molecular weight of 167.93 g/mol. Its IUPAC name is (2-fluoro-5-formylphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-5-formylphenyl)boronic acid
PubChem CID2763240
Molecular FormulaC7H6BFO3
Molecular Weight167.93 g/mol
Exact Mass168.04
IUPAC Name(2-fluoro-5-formylphenyl)boronic acid
SMILESO=Cc1ccc(F)c(B(O)O)c1
InChIInChI=1S/C7H6BFO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4,11-12H
InChIKeySQSWYWCEKCVQEA-UHFFFAOYSA-N
XLogP-0.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.93
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2-fluoro-5-formylphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-formylphenyl)boronic acid?
The IUPAC name of (2-fluoro-5-formylphenyl)boronic acid (CID 2763240) is (2-fluoro-5-formylphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-5-formylphenyl)boronic acid?
The canonical SMILES for (2-fluoro-5-formylphenyl)boronic acid is O=Cc1ccc(F)c(B(O)O)c1.
What is the InChIKey of (2-fluoro-5-formylphenyl)boronic acid?
The InChIKey is SQSWYWCEKCVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BFO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4,11-12H.
What are the key properties of (2-fluoro-5-formylphenyl)boronic acid?
(2-fluoro-5-formylphenyl)boronic acid has a molecular weight of 167.93 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-formylphenyl)boronic acid is sourced from PubChem (CID 2763240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).