2-(dimethoxymethyl)-6-fluoro-1,8-naphthyridine

• ChemBase编号: 51644
• 分子式: C11H11FN2O2
• 平均质量: 222.2156432
• 单一同位素质量: 222.08045582
• SMILES: c1(cnc2c(c1)ccc(n2)C(OC)OC)F
• Canonical SMILES: COC(c1ccc2c(n1)ncc(c2)F)OC
• InChI: InChI=1S/C11H11FN2O2/c1-15-11(16-2)9-4-3-7-5-8(12)6-13-10(7)14-9/h3-6,11H,1-2H3
• InChIKey: DAVIBRODJFTHQN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethoxymethyl)-6-fluoro-1,8-naphthyridine
• IUPAC传统名: 2-(dimethoxymethyl)-6-fluoro-1,8-naphthyridine
• 别名: 2-(Dimethoxymethyl)-6-fluoro-1,8-naphthyridine; 2-(Dimethoxymethyl)-6-fluoro-1,8-naphthyridine

登记号

• CAS号: 1222533-72-3
• MDL号: MFCD16628233
• PubChem SID: 162056407
• PubChem CID: 49761597

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.69257
• LogD (pH = 7.4): 1.69257
• Log P: 1.69257
• 摩尔折射率: 56.6061 cm^3
• 极化性: 21.968004 Å^3
• 极化表面积: 44.24 Å^2
• 可自由旋转的化学键: 3
• 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): C11H11FN2O2

详细说明

Sigma Aldrich - ADE000850

Other Notes
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