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MFCD13563066 分子结构
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2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidin-1-yl)-5-fluoro-3-iodopyridine

ChemBase编号:50587
分子式:C16H26FIN2OSi
平均质量:436.3788132
单一同位素质量:436.08431621
SMILES和InChIs

SMILES:
c1(cnc(c(c1)I)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)F
Canonical SMILES:
Fc1cnc(c(c1)I)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C16H26FIN2OSi/c1-16(2,3)22(4,5)21-11-12-6-7-20(10-12)15-14(18)8-13(17)9-19-15/h8-9,12H,6-7,10-11H2,1-5H3
InChIKey:
LVFRXBGFQNNWPW-UHFFFAOYSA-N

引用这个纪录

CBID:50587 http://www.chembase.cn/molecule-50587.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidin-1-yl)-5-fluoro-3-iodopyridine
IUPAC传统名
2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidin-1-yl)-5-fluoro-3-iodopyridine
别名
2-(3-((tert-Butyldimethylsilyloxy)methyl)-pyrrolidin-1-yl)-5-fluoro-3-iodopyridine
2-(3-((tert-Butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)-5-fluoro-3-iodopyridine
2-(3-((tert-Butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)-5-fluoro-3-iodopyridine
MDL号
MFCD13563066
PubChem SID
162055350
PubChem CID
46318131

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) 5.017243  LogD (pH = 7.4) 5.017398 
Log P 5.0174  摩尔折射率 95.9127 cm3
极化性 38.562237 Å3 极化表面积 25.36 Å2
可自由旋转的化学键 里宾斯基五规则 false 

分子性质

分子性质

安全信息 产品相关信息 生物活性(PubChem)
保存注意事项
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TSCA收录
false expand 查看数据来源
纯度
97% expand 查看数据来源
Empirical Formula (Hill Notation)
C16H26FIN2OSi expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  ADE000779 external link
Other Notes
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参考文献

参考文献

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专利

专利

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