(4-formylfuran-2-yl)boronic acid

C5H5BO4 — CID 2736495

IUPAC(4-formylfuran-2-yl)boronic acid
SMILESO=Cc1coc(B(O)O)c1
InChIInChI=1S/C5H5BO4/c7-2-4-1-5(6(8)9)10-3-4/h1-3,8-9H
InChIKeyWHHDYDVWDKATTB-UHFFFAOYSA-N
MW139.90 g/mol
LogP-1.23
Rot. Bonds2

About (4-formylfuran-2-yl)boronic acid

(4-formylfuran-2-yl)boronic acid (PubChem CID 2736495) has the molecular formula C5H5BO4 and a molecular weight of 139.90 g/mol. Its IUPAC name is (4-formylfuran-2-yl)boronic acid.

Molecular Properties

Compound Name(4-formylfuran-2-yl)boronic acid
PubChem CID2736495
Molecular FormulaC5H5BO4
Molecular Weight139.90 g/mol
Exact Mass140.03
IUPAC Name(4-formylfuran-2-yl)boronic acid
SMILESO=Cc1coc(B(O)O)c1
InChIInChI=1S/C5H5BO4/c7-2-4-1-5(6(8)9)10-3-4/h1-3,8-9H
InChIKeyWHHDYDVWDKATTB-UHFFFAOYSA-N
XLogP-1.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.90
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-formylfuran-2-yl)boronic acid?
The IUPAC name of (4-formylfuran-2-yl)boronic acid (CID 2736495) is (4-formylfuran-2-yl)boronic acid.
What is the SMILES notation for (4-formylfuran-2-yl)boronic acid?
The canonical SMILES for (4-formylfuran-2-yl)boronic acid is O=Cc1coc(B(O)O)c1.
What is the InChIKey of (4-formylfuran-2-yl)boronic acid?
The InChIKey is WHHDYDVWDKATTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BO4/c7-2-4-1-5(6(8)9)10-3-4/h1-3,8-9H.
What are the key properties of (4-formylfuran-2-yl)boronic acid?
(4-formylfuran-2-yl)boronic acid has a molecular weight of 139.90 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylfuran-2-yl)boronic acid is sourced from PubChem (CID 2736495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).