HCID22503261

5-Bromo-2-(3-methoxy-prop-1-ynyl)-pyridine

5-bromo-2-(3-methoxyprop-1-ynyl)pyridine

C9H8BrNO226.07 g/mol

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IDENTITY

结构与身份

标准SMILES: COCC#Cc1ccc(Br)cn1
InChIKey: QHSDPSQVVHZQGD-UHFFFAOYSA-N
分子式: C9H8BrNO
平均分子量: 226.07 g/mol
单同位素质量: 224.97893

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 22.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 193

ALIASES

名称与别名

共 7 条

5-bromo-2-(3-methoxy-prop-1-ynyl)-pyridineSCHEMBL285550SCHEMBL29756638QHSDPSQVVHZQGD-UHFFFAOYSA-N5-bromo-2-(3-methoxypropynyl)pyridine223553-03-5DB-368321

REACTIONS

参与反应

8 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198273B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198273B2

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uspto-grants-2004_09 · 10.6084/m9.figshare.5104873.v1 · US06790844B2

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uspto-grants-2002_01 · 10.6084/m9.figshare.5104873.v1 · US06340759B1

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uspto-grants-2002_01 · 10.6084/m9.figshare.5104873.v1 · US06340759B1

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uspto-grants-2005_04 · 10.6084/m9.figshare.5104873.v1 · US06875761B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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