5-chloro-2-fluoropyridine-3-carbaldehyde

• ChemBase编号: 164296
• 分子式: C6H3ClFNO
• 平均质量: 159.5455232
• 单一同位素质量: 158.98871962
• SMILES: c1(cnc(c(c1)C=O)F)Cl
• Canonical SMILES: O=Cc1cc(Cl)cnc1F
• InChI: InChI=1S/C6H3ClFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
• InChIKey: OAGTZGCJLKCEEY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-2-fluoropyridine-3-carbaldehyde
• IUPAC传统名: 5-chloro-2-fluoropyridine-3-carbaldehyde
• 别名: 5-Chloro-2-fluoropyridine-3-carboxaldehyde; 5-Chloro-2-fluoronicotinaldehyde

登记号

• CAS号: 882679-90-5
• PubChem SID: 162258431
• PubChem CID: 40427005

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.608753
• LogD (pH = 7.4): 1.608753
• Log P: 1.608753
• 摩尔折射率: 36.521 cm^3
• 极化性: 13.057153 Å^3
• 极化表面积: 29.96 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%

详细说明

Toronto Research Chemicals - C366445

Used in the preparation of trisubstituted amine compounds as CETP inhibitors useful in the treatment of arteriosclerotic diseases, hyperlipemia, dyslipidemia and related diseases.