HCID21906198

1-(Pyridin-4-yl)pyrrolidin-3-ol

1-pyridin-4-ylpyrrolidin-3-ol

C9H12N2O164.2 g/molCAS 116721-57-4

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IDENTITY

结构与身份

标准SMILES: OC1CCN(c2ccncc2)C1
InChIKey: HHYWFIGUFNRYPN-UHFFFAOYSA-N
分子式: C9H12N2O
平均分子量: 164.2 g/mol
单同位素质量: 164.09496301

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 36.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 145

ALIASES

名称与别名

共 18 条

1-(pyridin-4-yl)pyrrolidin-3-ol116721-57-41-pyridin-4-ylpyrrolidin-3-olSCHEMBL5227052DTXSID606198541-(4-Pyridinyl)-3-pyrrolidinolHHYWFIGUFNRYPN-UHFFFAOYSA-N1-(4-pyridyl)-3-hydroxypyrrolidine1-(4-pyridinyl)-3-hydroxypyrrolidine4-(3-hydroxy-1-pyrrolidinyl)pyridineAKOS012214641SB45678SB46915SB54688DB-060914DB-065381DB-065858F2167-2706

REACTIONS

相关反应

15 条

750 AstraZeneca ELN dataset

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

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07173025B1

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313127B1

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06635657B1

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