(3-bromophenyl)boronic acid;pyridine

C11H11BBrNO2 — CID 174970382

IUPAC(3-bromophenyl)boronic acid;pyridine
SMILESOB(O)c1cccc(Br)c1.c1ccncc1
InChIInChI=1S/C6H6BBrO2.C5H5N/c8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1/h1-4,9-10H;1-5H
InChIKeyHLUWQKJMFQTAEZ-UHFFFAOYSA-N
MW279.93 g/mol
LogP1.21
Rot. Bonds1

About (3-bromophenyl)boronic acid;pyridine

(3-bromophenyl)boronic acid;pyridine (PubChem CID 174970382) has the molecular formula C11H11BBrNO2 and a molecular weight of 279.93 g/mol. Its IUPAC name is (3-bromophenyl)boronic acid;pyridine.

Molecular Properties

Compound Name(3-bromophenyl)boronic acid;pyridine
PubChem CID174970382
Molecular FormulaC11H11BBrNO2
Molecular Weight279.93 g/mol
Exact Mass279.01
IUPAC Name(3-bromophenyl)boronic acid;pyridine
SMILESOB(O)c1cccc(Br)c1.c1ccncc1
InChIInChI=1S/C6H6BBrO2.C5H5N/c8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1/h1-4,9-10H;1-5H
InChIKeyHLUWQKJMFQTAEZ-UHFFFAOYSA-N
XLogP1.21
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.93
LogP ≤ 51.21
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 (3-bromophenyl)boronic acid;pyridine?
The IUPAC name of (3-bromophenyl)boronic acid;pyridine (CID 174970382) is (3-bromophenyl)boronic acid;pyridine.
What is the SMILES notation for (3-bromophenyl)boronic acid;pyridine?
The canonical SMILES for (3-bromophenyl)boronic acid;pyridine is OB(O)c1cccc(Br)c1.c1ccncc1.
What is the InChIKey of (3-bromophenyl)boronic acid;pyridine?
The InChIKey is HLUWQKJMFQTAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BBrO2.C5H5N/c8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1/h1-4,9-10H;1-5H.
What are the key properties of (3-bromophenyl)boronic acid;pyridine?
(3-bromophenyl)boronic acid;pyridine has a molecular weight of 279.93 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)boronic acid;pyridine is sourced from PubChem (CID 174970382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).