(3,5-dipyridin-2-ylphenyl)boronic acid

C16H13BN2O2 — CID 71710985

IUPAC(3,5-dipyridin-2-ylphenyl)boronic acid
SMILESOB(O)c1cc(-c2ccccn2)cc(-c2ccccn2)c1
InChIInChI=1S/C16H13BN2O2/c20-17(21)14-10-12(15-5-1-3-7-18-15)9-13(11-14)16-6-2-4-8-19-16/h1-11,20-21H
InChIKeyXERXVQRMICFJAM-UHFFFAOYSA-N
MW276.10 g/mol
LogP1.49
Rot. Bonds3

About (3,5-dipyridin-2-ylphenyl)boronic acid

(3,5-dipyridin-2-ylphenyl)boronic acid (PubChem CID 71710985) has the molecular formula C16H13BN2O2 and a molecular weight of 276.10 g/mol. Its IUPAC name is (3,5-dipyridin-2-ylphenyl)boronic acid.

Molecular Properties

Compound Name(3,5-dipyridin-2-ylphenyl)boronic acid
PubChem CID71710985
Molecular FormulaC16H13BN2O2
Molecular Weight276.10 g/mol
Exact Mass276.11
IUPAC Name(3,5-dipyridin-2-ylphenyl)boronic acid
SMILESOB(O)c1cc(-c2ccccn2)cc(-c2ccccn2)c1
InChIInChI=1S/C16H13BN2O2/c20-17(21)14-10-12(15-5-1-3-7-18-15)9-13(11-14)16-6-2-4-8-19-16/h1-11,20-21H
InChIKeyXERXVQRMICFJAM-UHFFFAOYSA-N
XLogP1.49
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3,5-dipyridin-2-ylphenyl)boronic acid?
The IUPAC name of (3,5-dipyridin-2-ylphenyl)boronic acid (CID 71710985) is (3,5-dipyridin-2-ylphenyl)boronic acid.
What is the SMILES notation for (3,5-dipyridin-2-ylphenyl)boronic acid?
The canonical SMILES for (3,5-dipyridin-2-ylphenyl)boronic acid is OB(O)c1cc(-c2ccccn2)cc(-c2ccccn2)c1.
What is the InChIKey of (3,5-dipyridin-2-ylphenyl)boronic acid?
The InChIKey is XERXVQRMICFJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BN2O2/c20-17(21)14-10-12(15-5-1-3-7-18-15)9-13(11-14)16-6-2-4-8-19-16/h1-11,20-21H.
What are the key properties of (3,5-dipyridin-2-ylphenyl)boronic acid?
(3,5-dipyridin-2-ylphenyl)boronic acid has a molecular weight of 276.10 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dipyridin-2-ylphenyl)boronic acid is sourced from PubChem (CID 71710985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).