[1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid

C10H7BN2O3 — CID 151988761

IUPAC[1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid
SMILESOB(O)c1cccc2c1oc1ncncc12
InChIInChI=1S/C10H7BN2O3/c14-11(15)8-3-1-2-6-7-4-12-5-13-10(7)16-9(6)8/h1-5,14-15H
InChIKeyUEFLNOVAURDBQE-UHFFFAOYSA-N
MW213.99 g/mol
LogP0.06
Rot. Bonds1

About [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid

[1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid (PubChem CID 151988761) has the molecular formula C10H7BN2O3 and a molecular weight of 213.99 g/mol. Its IUPAC name is [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid.

Molecular Properties

Compound Name[1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid
PubChem CID151988761
Molecular FormulaC10H7BN2O3
Molecular Weight213.99 g/mol
Exact Mass214.05
IUPAC Name[1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid
SMILESOB(O)c1cccc2c1oc1ncncc12
InChIInChI=1S/C10H7BN2O3/c14-11(15)8-3-1-2-6-7-4-12-5-13-10(7)16-9(6)8/h1-5,14-15H
InChIKeyUEFLNOVAURDBQE-UHFFFAOYSA-N
XLogP0.06
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.99
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-ylboronic acid
CID 140963803
(2,3-dimethyl-1-benzofuran-7-yl)boronic acid
CID 123918946
(8-bromodibenzofuran-4-yl)boronic acid
CID 142752650
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
8,9-dihydrodibenzofuran-4-ylboronic acid
CID 123567559
6-pyridin-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 171768052
(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid
CID 123442682
(6-methyl-7H-dibenzofuran-7-ylium-4-yl)boronic acid
CID 123584372
[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
CID 144640440
[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
CID 90125806
[6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-cyanodibenzofuran-4-yl]boronic acid
CID 171745968
(1-fluoroisoquinolin-4-yl)boronic acid
CID 167730452

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid?
The IUPAC name of [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid (CID 151988761) is [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid.
What is the SMILES notation for [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid?
The canonical SMILES for [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid is OB(O)c1cccc2c1oc1ncncc12.
What is the InChIKey of [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid?
The InChIKey is UEFLNOVAURDBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BN2O3/c14-11(15)8-3-1-2-6-7-4-12-5-13-10(7)16-9(6)8/h1-5,14-15H.
What are the key properties of [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid?
[1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid has a molecular weight of 213.99 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[2,3-d]pyrimidin-8-ylboronic acid is sourced from PubChem (CID 151988761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).