Methyl 5-bromo-2-chloronicotinate 2-氯5-溴烟酸甲酯

CAS 78686-79-0 MFCD03844848

化学结构图

78686-79-0
SMILES: COC(=O)c1cc(Br)cnc1Cl

化学属性

Mol. FormulaC7
Mol. Weight250
Melting Point50.0 to 54.0 deg-C

别名和识别编码

Chemical NameMethyl 5-bromo-2-chloronicotinate
CAS Number78686-79-0
Alfabeta NameMETHYLBROMOCHLORONICOTINATE 52---
MDL NumberMFCD03844848
Synonym 5-Bromo-2-chloropyridine-3-carboxylic acid methyl ester Methyl 5-bromo-2-chloronicotinate Methyl 5-bromo-2-chloronicotinate
Chemical Name Translation2-氯5-溴烟酸甲酯
PubChem Substance ID253661707
Reaxys-RN4394169
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分类

  • {KO} ReacChlorides
  • {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {KO} ReacBromides
  • {KO} Esters
  • {SNA} Building Blocks, C7, C7 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines

安全信息

Warnings IRRITANT
Hazard Codes Xn
GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
Signal word Warning
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
2
H-bond Donors
0
LogP
2

系列性分类

  1. C7 to C8 - Pyridines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Pyridines - Halogenated Heterocycles
  6. C7 to C8 - Pyridines

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