CAS 626-55-1|3-bromopyridine|3-bromopyridine|3-Bromopyridine|3-Bromopyridine|3-溴吡啶|m-Bromopyridine|Pyridin-3-yl Bromide|NSC 3974|3-Pyridyl Bromide

基本信息

化学结构

分子式

C₅H₄BrN

分子量

157.99596

精确质量

156.95271113

电荷

InChI

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

InChIKey

NYPYPOZNGOXYSU-UHFFFAOYSA-N

Canonic Smiles

Brc1cccnc1

Isomeric Smiles

n1cc(Br)ccc1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.5208961

LogD (pH = 7.4)

1.5242826

Log P

1.524326

摩尔折射率

31.5239

极化性

12.286372

极化表面积

12.89

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

3-bromopyridine

IUPAC标准名

3-bromopyridine

别名

3-Bromopyridine3-Bromopyridine3-溴吡啶m-BromopyridinePyridin-3-yl BromideNSC 39743-Pyridyl Bromide

名称和标识

数据登录号

MDL号

MFCD00006373

PubChem CID

12286

PubChem SID

1620300232485101524892040

CAS号

626-55-1

EC号

210-952-0

Beilstein号

105880

数据登录号

化合物性质

安全信息

false

是

LIGHT SENSITIVE, IRRITANT-HARMFUL, FLAMMABLE

Flammable/Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon

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化合物性质

分子相关蛋白质

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分子图谱

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描述信息

MP Biomedicals

05211789

MP Biomedicals Rare Chemical collection

Sigma Aldrich

B80208

包装
5, 25, 100 g in glass bottle

TRC

B686740

Pyridine as novel substrate for regioselective oxygenation with aromatic peroxygenase from Agrocybe aegerita.

描述信息

参考文献

PubChem文献

数据源提供

• Colby, J., et al.: Biochem. J., 165, 395 (1977)

• Damani, L., et al.: Xenobiotica, 12, 527 (1977)

• Balzarini, J., et al.: J. Antimicrob. Chemother., 55, 135 (1977)

• Undergoes lithiation with LDA at low temperatures in the 4-position: Heterocycles, 35, 151 (1993). Formation of the Grignard by Mg exchange with i-PrMgCl: Tetrahdron Lett., 40, 4339 (1999). Transmetallation of the lithiated derivative with ZnCl₂ followed by treatment with an electrophile has been described, as a route to 4-substituted 3-bromopyridines: Org. Lett., 3, 835 (2001).

参考文献

生物活性

PubChem BioAssay

生物活性