2-chloro-3-methoxy-5-methylpyridine

• ChemBase编号: 50562
• 分子式: C7H8ClNO
• 平均质量: 157.59752
• 单一同位素质量: 157.02944156
• SMILES: c1(cnc(c(c1)OC)Cl)C
• Canonical SMILES: COc1cc(C)cnc1Cl
• InChI: InChI=1S/C7H8ClNO/c1-5-3-6(10-2)7(8)9-4-5/h3-4H,1-2H3
• InChIKey: HNYOWJROVIRPCU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-3-methoxy-5-methylpyridine
• IUPAC传统名: 2-chloro-3-methoxy-5-methylpyridine
• 别名: 2-Chloro-3-methoxy-5-methylpyridine; 2-Chloro-3-methoxy-5-methylpyridine

登记号

• CAS号: 1203499-46-0
• MDL号: MFCD13563046
• PubChem SID: 162055325
• PubChem CID: 46318108

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.9354986
• LogD (pH = 7.4): 1.9355447
• Log P: 1.9355453
• 摩尔折射率: 41.2716 cm^3
• 极化性: 15.679208 Å^3
• 极化表面积: 22.12 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C7H8ClNO

详细说明

Sigma Aldrich - ADE000750

Other Notes
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