2-羟基-3-氰基-4,6-二甲基-5-溴吡啶

• 常用名: 2-羟基-3-氰基-4,6-二甲基-5-溴吡啶
• 英文名: 5-Bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine
• CAS号: 23819-87-6
• 分子量: 227.058
• 密度: 1.6±0.1 g/cm3
• 沸点: 301.0±42.0 °C at 760 mmHg
• 分子式: C₈H₇BrN₂O
• 熔点: 263-266ºC
• 闪点: 135.8±27.9 °C

2-羟基-3-氰基-4,6-二甲基-5-溴吡啶名称

• 中文名: 5-溴-3-氰基-2-羟基-4,6-二甲基吡啶
• 英文名: 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
• 中文别名: 5-溴-2-羟基-4,6-二甲基烟腈 | 5-溴-4,6-二甲基-2-氧代-1,2-二氢-3-吡啶甲腈

2-羟基-3-氰基-4,6-二甲基-5-溴吡啶物理化学性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 301.0±42.0 °C at 760 mmHg
• 熔点: 263-266ºC
• 分子式: C₈H₇BrN₂O
• 分子量: 227.058
• 闪点: 135.8±27.9 °C
• 精确质量: 225.974167
• PSA: 56.91000
• LogP: 0.65
• InChIKey: DFGKQCOFARYQOA-UHFFFAOYSA-N
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1Br
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.589
• 储存条件: 室温，保存在惰性气体中
• 分子结构:

  1、 摩尔折射率：47.61

  2、 摩尔体积（cm³/mol）：47.61

  3、 等张比容（90.2K）：391.3

  4、 表面张力（dyne/cm）：69.9

  5、 极化率（10-24cm3）：18.87

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.8

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:5

  6.拓扑分子极性表面积52.9

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:357

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

2-羟基-3-氰基-4,6-二甲基-5-溴吡啶安全信息

• 风险声明 (欧洲): 20/21/22-36/37/38
• 安全声明 (欧洲): 9-26-36/37
• 危险品运输编码: UN3439
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2933399090

2-羟基-3-氰基-4,6-二甲基-5-溴吡啶海关

• 海关编码: 2933399090
• 中文概述: 2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-羟基-3-氰基-4,6-二甲基-5-溴吡啶靶点实验

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实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

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2-羟基-3-氰基-4,6-二甲基-5-溴吡啶英文别名

• 5-bromo-3-cyano-4,6-dimethyl-2-pyridone
• 5-Bromo-3-cyano-4,6-dimethyl-2(1H)-pyridone
• 5-Bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine
• 5-bromo-4,6-dimethyl-3-cyanopyridin-2(1H)-one
• 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
• 5-Bromo-2-hydroxy-4,6-dimethylnicotinonitrile
• F0913-3252
• 5-Bromo-2-hydroxy-4,6-dimethylpyridine-3-carbonitrile
• 5-Bromo-3-cyano-4,6-dimethylpyrid-2-one
• 5-bromo-4,6-dimethyl-2-oxohydropyridine-3-carbonitrile
• MFCD00052651
• 5-bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
• 3-pyridinecarbonitrile,5-bromo-1,2-dihydro-4,6-dimethyl-2-oxo