5-chloro-2-hydrazinylpyridine-4-carboxylic acid hydrochloride

• ChemBase编号: 51467
• 分子式: C6H7Cl2N3O2
• 平均质量: 224.04468
• 单一同位素质量: 222.99153184
• SMILES: c1(C(=O)O)c(cnc(c1)NN)Cl.Cl
• Canonical SMILES: NNc1ncc(c(c1)C(=O)O)Cl.Cl
• InChI: InChI=1S/C6H6ClN3O2.ClH/c7-4-2-9-5(10-8)1-3(4)6(11)12;/h1-2H,8H2,(H,9,10)(H,11,12);1H
• InChIKey: NBIGRXVXPRLFAB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-2-hydrazinylpyridine-4-carboxylic acid hydrochloride
• IUPAC传统名: 5-chloro-2-hydrazinylpyridine-4-carboxylic acid hydrochloride
• 别名: (4-Carboxy-5-chloropyridin-2-yl)hydrazine hydrochloride; 4-Carboxy-5-chloro-2-hydrazinopyridine hydrochloride; 5-Chloro-2-hydrazinopyridine-4-carboxylic acid hydrochloride; 5-Chloro-2-hydrazinylpyridine-4-carboxylic acid hydrochloride

登记号

• MDL号: MFCD16622784
• PubChem SID: 162056230
• PubChem CID: 51072006

理论计算性质

• Acid pKa: 3.543153
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -0.32789564
• LogD (pH = 7.4): -2.0020323
• Log P: 0.2977541
• 摩尔折射率: 45.9823 cm^3
• 极化性: 16.373997 Å^3
• 极化表面积: 88.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 176 - 178 °C; 176-178°C

安全信息

• 保存注意事项: Harmful/Irritant/Keep Cold/Store under Argon; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: >95%