3-bromopyridine;pyridin-3-ylboronic acid

C10H10BBrN2O2 — CID 69464448

IUPAC3-bromopyridine;pyridin-3-ylboronic acid
SMILESBrc1cccnc1.OB(O)c1cccnc1
InChIInChI=1S/C5H6BNO2.C5H4BrN/c8-6(9)5-2-1-3-7-4-5;6-5-2-1-3-7-4-5/h1-4,8-9H;1-4H
InChIKeyZXTWXPIRDFOVCE-UHFFFAOYSA-N
MW280.92 g/mol
LogP0.61
Rot. Bonds1

About 3-bromopyridine;pyridin-3-ylboronic acid

3-bromopyridine;pyridin-3-ylboronic acid (PubChem CID 69464448) has the molecular formula C10H10BBrN2O2 and a molecular weight of 280.92 g/mol. Its IUPAC name is 3-bromopyridine;pyridin-3-ylboronic acid.

Molecular Properties

Compound Name3-bromopyridine;pyridin-3-ylboronic acid
PubChem CID69464448
Molecular FormulaC10H10BBrN2O2
Molecular Weight280.92 g/mol
Exact Mass280.00
IUPAC Name3-bromopyridine;pyridin-3-ylboronic acid
SMILESBrc1cccnc1.OB(O)c1cccnc1
InChIInChI=1S/C5H6BNO2.C5H4BrN/c8-6(9)5-2-1-3-7-4-5;6-5-2-1-3-7-4-5/h1-4,8-9H;1-4H
InChIKeyZXTWXPIRDFOVCE-UHFFFAOYSA-N
XLogP0.61
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.92
LogP ≤ 50.61
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-bromopyridine;pyridin-3-ylboronic acid?
The IUPAC name of 3-bromopyridine;pyridin-3-ylboronic acid (CID 69464448) is 3-bromopyridine;pyridin-3-ylboronic acid.
What is the SMILES notation for 3-bromopyridine;pyridin-3-ylboronic acid?
The canonical SMILES for 3-bromopyridine;pyridin-3-ylboronic acid is Brc1cccnc1.OB(O)c1cccnc1.
What is the InChIKey of 3-bromopyridine;pyridin-3-ylboronic acid?
The InChIKey is ZXTWXPIRDFOVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BNO2.C5H4BrN/c8-6(9)5-2-1-3-7-4-5;6-5-2-1-3-7-4-5/h1-4,8-9H;1-4H.
What are the key properties of 3-bromopyridine;pyridin-3-ylboronic acid?
3-bromopyridine;pyridin-3-ylboronic acid has a molecular weight of 280.92 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine;pyridin-3-ylboronic acid is sourced from PubChem (CID 69464448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).