(2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine

C22H18BBr3N2O2 — CID 160893517

IUPAC(2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine
SMILESBrc1ccccc1-c1ccccn1.Brc1ccccn1.OB(O)c1ccccc1Br
InChIInChI=1S/C11H8BrN.C6H6BBrO2.C5H4BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;8-6-4-2-1-3-5(6)7(9)10;6-5-3-1-2-4-7-5/h1-8H;1-4,9-10H;1-4H
InChIKeySOOQSVHBKNGJGO-UHFFFAOYSA-N
MW592.92 g/mol
LogP5.48
Rot. Bonds2

About (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine

(2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine (PubChem CID 160893517) has the molecular formula C22H18BBr3N2O2 and a molecular weight of 592.92 g/mol. Its IUPAC name is (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine.

Molecular Properties

Compound Name(2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine
PubChem CID160893517
Molecular FormulaC22H18BBr3N2O2
Molecular Weight592.92 g/mol
Exact Mass589.90
IUPAC Name(2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine
SMILESBrc1ccccc1-c1ccccn1.Brc1ccccn1.OB(O)c1ccccc1Br
InChIInChI=1S/C11H8BrN.C6H6BBrO2.C5H4BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;8-6-4-2-1-3-5(6)7(9)10;6-5-3-1-2-4-7-5/h1-8H;1-4,9-10H;1-4H
InChIKeySOOQSVHBKNGJGO-UHFFFAOYSA-N
XLogP5.48
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.92
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-(2-pyridin-2-ylphenyl)phenyl]boronic acid
CID 175560830
magnesium;1-bromo-2-methoxybenzene;2-bromopyridine;methoxybenzene;bis((2-methoxyphenyl)boronic acid);bis(2-(2-methoxyphenyl)pyridine);bromide
CID 160618526
[2-(2-bromophenyl)phenyl]boronic acid
CID 130113640
2-bromo(212C)pyridine
CID 126713665
magnesium;2-bromopyridine;dichloride
CID 174775023
(2-pyridin-2-ylphenyl) selenohypobromite
CID 102165047
potassium;2-bromopyridine;hydride
CID 173115225
4-bromo-3-pyridin-2-ylpyridine
CID 118988962
(4-pyridin-2-ylphenyl)boronic acid;1,2,4,5-tetrabromobenzene;2-[4-[2,4,5-tris(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
CID 160526722
2-pyridin-2-ylphenol;hydrate
CID 175244966
2-(2-methylphenyl)pyridine
CID 144596153
2-(2-methylselanylphenyl)pyridine
CID 139264776

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine?
The IUPAC name of (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine (CID 160893517) is (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine.
What is the SMILES notation for (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine?
The canonical SMILES for (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine is Brc1ccccc1-c1ccccn1.Brc1ccccn1.OB(O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine?
The InChIKey is SOOQSVHBKNGJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN.C6H6BBrO2.C5H4BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;8-6-4-2-1-3-5(6)7(9)10;6-5-3-1-2-4-7-5/h1-8H;1-4,9-10H;1-4H.
What are the key properties of (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine?
(2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine has a molecular weight of 592.92 g/mol, XLogP of 5.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)boronic acid;2-(2-bromophenyl)pyridine;2-bromopyridine is sourced from PubChem (CID 160893517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).