CAS 109-04-6|2-Bromopyridine|2-bromopyridine|2-bromopyridine|2-Bromopyridine|2-溴吡啶

General Information

Structure

Molecular Formula

C₅H₄BrN

Molecular Mass

157.99596

Exact Mass

156.95271113

Charge

InChI

InChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H

InChIKey

IMRWILPUOVGIMU-UHFFFAOYSA-N

Canonic Smiles

Brc1ccccn1

Isomeric Smiles

c1(ccccn1)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7298084

LogD (pH = 7.4)

1.7298476

Log P

1.729848

Molar Refractivity

32.3661

Polarizability

12.334084

Polar Surface Area

12.89

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Bromopyridine2-Bromopyridine2-溴吡啶

IUPAC name

2-bromopyridine

IUPAC Traditional name

2-bromopyridine

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

Beilstein Number

EC Number

MDL Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05214729

MP Biomedicals Rare Chemical collection

Sigma Aldrich

B80100

Packaging
25, 100, 500 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Bromopyridines can be converted to the Grignards by Mg exchange with i-PrMgCl: Tetrahdron Lett., 40, 4339 (1999).

• Reaction with n-BuLi gives 2-lithio-pyridine. Subsequent reaction at low temperatures with PCl₃ gives, as the major product, 2,2'-bipyridine, along with a low yield of the expected tris(2-pyridyl)phosphine. POCl₃ or SOCl₂ also promote the symmetrical coupling reaction: Heteroatom. Chem., 5, 409 (1994). In contrast, reaction with LDA in THF at -78^o results in lithiation at the 3-position, giving access to 3-substituted 2-bromopyridines: Synthesis, 235, 237 (1982). See also: Org. Lett., 3, 835 (2001).

References

Bioactivity

PubChem BioAssay

Bioactivity