2-cyclopropyl-1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine hydrochloride

• ChemBase编号: 241543
• 分子式: C10H16ClN3
• 平均质量: 213.70714
• 单一同位素质量: 213.10327521
• SMILES: c1(nc2c(n1C)CCNC2)C1CC1.Cl
• Canonical SMILES: Cn1c(nc2c1CCNC2)C1CC1.Cl
• InChI: InChI=1S/C10H15N3.ClH/c1-13-9-4-5-11-6-8(9)12-10(13)7-2-3-7;/h7,11H,2-6H2,1H3;1H
• InChIKey: YRXLOXXXLAEPSK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-cyclopropyl-1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine hydrochloride
• IUPAC传统名: 2-cyclopropyl-1-methyl-4H,5H,6H,7H-imidazo[4,5-c]pyridine hydrochloride
• 别名: 2-cyclopropyl-1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine hydrochloride

登记号

• MDL号: MFCD22565880
• PubChem SID: 164297453
• PubChem CID: 71756811

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.0588002
• LogD (pH = 7.4): -0.39146155
• Log P: 0.35232168
• 摩尔折射率: 51.7727 cm^3
• 极化性: 19.858397 Å^3
• 极化表面积: 29.85 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -0.077

产品相关信息

• 纯度: 95%