HCID61679694

6-(3-Hydroxymethyl-phenoxy)-nicotinonitrile

6-[3-(hydroxymethyl)phenoxy]pyridine-3-carbonitrile

C13H10N2O2226.23 g/mol

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IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(Oc2cccc(CO)c2)nc1
InChIKey: MYDHRVUZZPOITB-UHFFFAOYSA-N
分子式: C13H10N2O2
平均分子量: 226.23 g/mol
单同位素质量: 226.07422757

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 66.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 286

ALIASES

名称与别名

共 7 条

SCHEMBL3172303MYDHRVUZZPOITB-UHFFFAOYSA-NAKOS0109456756-(3-hydroxymethyl-phenoxy)-nicotinonitrileDB-3990826-[3-(Hydroxymethyl)phenoxy]-3-pyridinecarbonitrile888967-50-8

REACTIONS

相关反应

3 条

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

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uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07858646B2

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uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07858646B2

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