CAS 625-92-3|3,5-dibromopyridine|3,5-dibromopyridine|3,5-Dibromopyridine|3,5-Dibromo-pyridine|NSC 6209|3,5-二溴吡啶|3,5-Dibromopyridine

General Information

Structure

Molecular Formula

C₅H₃Br₂N

Molecular Mass

236.89202

Exact Mass

234.8632231

Charge

InChI

InChI=1S/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3H

InChIKey

SOSPMXMEOFGPIM-UHFFFAOYSA-N

Canonic Smiles

Brc1cncc(c1)Br

Isomeric Smiles

c1(cncc(c1)Br)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2930095

LogD (pH = 7.4)

2.2930777

Log P

2.2930787

Molar Refractivity

39.1467

Polarizability

15.432079

Polar Surface Area

12.89

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

3,5-dibromopyridine

IUPAC name

3,5-dibromopyridine

Synonyms

3,5-Dibromopyridine3,5-Dibromo-pyridineNSC 62093,5-二溴吡啶3,5-Dibromopyridine

Names and Identifiers

Registration numbers

CAS Number

625-92-3

MDL Number

MFCD00014634

PubChem SID

1609770362484740724861148

PubChem CID

69369

Beilstein Number

108477

EC Number

210-916-4

Registration numbers

Properties

Safety Information

Download link

false

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

120162

Packaging
10 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• With n-BuLi at -30 ^o, selective metallation occurs by exchange with one Br atom: J. Org. Chem., 16,1485 (1951). In contrast, using LDA in THF at -100 ^o, lithiation can be accomplished at the 4-position. Subsequent reaction with an electrophile can be followed by lithiation with n-BuLi to give 3-bromo-4,5-disubstituted pyridines: Tetrahedron Lett ., 37, 2565 (1996):