HCID818300

2-Chloro-5-methyl-3-nitropyridine

C6H5ClN2O2172.57 g/molCAS 23056-40-8

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IDENTITY

结构与身份

标准SMILES: Cc1cnc(Cl)c([N+](=O)[O-])c1
InChIKey: LUAJUWOJEFFNFE-UHFFFAOYSA-N
分子式: C6H5ClN2O2
平均分子量: 172.57 g/mol
单同位素质量: 172.0039551

COMPUTED

结构计算性质

等待补全

XLogP: 2
极性表面积: 58.7 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 159

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 35 条

2-Chloro-5-methyl-3-nitropyridine23056-40-8LUAJUWOJEFFNFE-UHFFFAOYSA-DTXSID20355943RefChem:86302DTXCID60307002624-905-0InChI=1/C6H5ClN2O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H32-Chloro-3-nitro-5-picolinePyridine, 2-chloro-5-methyl-3-nitro-2-chloro-5-methyl-3-nitro-pyridineMFCD020700202-chloro-3-nitro-5-methylpyridine5-methyl-2-chloro-3-nitropyridine6-Chloro-5-nitro-3-picolineSCHEMBL541340SCHEMBL26633207SCHEMBL30230909LUAJUWOJEFFNFE-UHFFFAOYSA-N5-Methyl-3-nitro-2-chloropyridine

REACTIONS

相关反应

36 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829003B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829003B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846713B2

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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 (2/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1984_04 · 10.6084/m9.figshare.5104873.v1 · US04444772

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