HCID66667383

3-Chloro-5-hydroxy-2-methoxypyridine

5-chloro-6-methoxypyridin-3-ol

C6H6ClNO2159.57 g/molCAS 1196157-30-8

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IDENTITY

结构与身份

标准SMILES: COc1ncc(O)cc1Cl
InChIKey: CXSPUXIQVANWJK-UHFFFAOYSA-N
分子式: C6H6ClNO2
平均分子量: 159.57 g/mol
单同位素质量: 159.0087061

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 42.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 112

ALIASES

名称与别名

共 13 条

3-CHLORO-5-HYDROXY-2-METHOXYPYRIDINE1196157-30-85-CHLORO-6-METHOXYPYRIDIN-3-OLMFCD131903695-Chloro-6-methoxy-3-pyridinolSCHEMBL365906CXSPUXIQVANWJK-UHFFFAOYSA-NDTXSID701306115AKOS027253867AB70289BS-26081CS-0195181F632512

REACTIONS

参与反应

5 条

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

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uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09102621B2

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

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592629B2

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592629B2

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