6-fluoro-2H,3H,4H-pyrano[2,3-b]pyridine

• ChemBase编号: 51540
• 分子式: C8H8FNO
• 平均质量: 153.1536232
• 单一同位素质量: 153.0589921
• SMILES: c1(cnc2c(c1)CCCO2)F
• Canonical SMILES: Fc1cc2CCCOc2nc1
• InChI: InChI=1S/C8H8FNO/c9-7-4-6-2-1-3-11-8(6)10-5-7/h4-5H,1-3H2
• InChIKey: MCXSFGHZAJNSIA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-fluoro-2H,3H,4H-pyrano[2,3-b]pyridine
• IUPAC传统名: 6-fluoro-2H,3H,4H-pyrano[2,3-b]pyridine
• 别名: 6-Fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridine; 6-Fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridine

登记号

• MDL号: MFCD16628204
• PubChem SID: 162056303
• PubChem CID: 49761551

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.8195127
• LogD (pH = 7.4): 1.8195187
• Log P: 1.8195188
• 摩尔折射率: 38.8048 cm^3
• 极化性: 14.5409355 Å^3
• 极化表面积: 22.12 Å^2
• 可自由旋转的化学键: 0
• 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

• Empirical Formula (Hill Notation): C8H8FNO

详细说明

Sigma Aldrich - ADE000007

Other Notes
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