phenylboronic acid;pyridine

C11H12BNO2 — CID 160947714

IUPACphenylboronic acid;pyridine
SMILESOB(O)c1ccccc1.c1ccncc1
InChIInChI=1S/C6H7BO2.C5H5N/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,8-9H;1-5H
InChIKeySVIJSYMCHSVVIS-UHFFFAOYSA-N
MW201.03 g/mol
LogP0.45
Rot. Bonds1

About phenylboronic acid;pyridine

phenylboronic acid;pyridine (PubChem CID 160947714) has the molecular formula C11H12BNO2 and a molecular weight of 201.03 g/mol. Its IUPAC name is phenylboronic acid;pyridine.

Molecular Properties

Compound Namephenylboronic acid;pyridine
PubChem CID160947714
Molecular FormulaC11H12BNO2
Molecular Weight201.03 g/mol
Exact Mass201.10
IUPAC Namephenylboronic acid;pyridine
SMILESOB(O)c1ccccc1.c1ccncc1
InChIInChI=1S/C6H7BO2.C5H5N/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,8-9H;1-5H
InChIKeySVIJSYMCHSVVIS-UHFFFAOYSA-N
XLogP0.45
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.03
LogP ≤ 50.45
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 phenylboronic acid;pyridine?
The IUPAC name of phenylboronic acid;pyridine (CID 160947714) is phenylboronic acid;pyridine.
What is the SMILES notation for phenylboronic acid;pyridine?
The canonical SMILES for phenylboronic acid;pyridine is OB(O)c1ccccc1.c1ccncc1.
What is the InChIKey of phenylboronic acid;pyridine?
The InChIKey is SVIJSYMCHSVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BO2.C5H5N/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,8-9H;1-5H.
What are the key properties of phenylboronic acid;pyridine?
phenylboronic acid;pyridine has a molecular weight of 201.03 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylboronic acid;pyridine is sourced from PubChem (CID 160947714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).