HCID642801

4-Ethynylpyridine

C7H5N103.12 g/molCAS 2510-22-7

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IDENTITY

结构与身份

标准SMILES: C#Cc1ccncc1
InChIKey: FDEDJRHULYIJOR-UHFFFAOYSA-N
分子式: C7H5N
平均分子量: 103.12 g/mol
单同位素质量: 103.04219916

COMPUTED

结构计算性质

等待补全

XLogP: 1.1
极性表面积: 12.9 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 8
形式电荷: 0
复杂度: 103

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 33 条

4-ethynylpyridine2510-22-7pyridine, 4-ethynyl-DTXSID60349063RefChem:98935DTXCID20300135631-027-1InChI=1/C7H5N/c1-2-7-3-5-8-6-4-7/h1,3-64-PyridylacetyleneMFCD04038420CHEMBL45478904-ethynyl pyridine4-ethynyl-pyridineSCHEMBL139430SCHEMBL208798SCHEMBL208976SCHEMBL4443864-Ethynylpyridine, AldrichCPRorb3029710FDEDJRHULYIJOR-UHFFFAOYSA-N

REACTIONS

相关反应

21 条

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

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637509B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772378B2

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08084395B2

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

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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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