2-{[2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine

• ChemBase编号: 111154
• 分子式: C12H10N4
• 平均质量: 210.2346
• 单一同位素质量: 210.09054634
• SMILES: c1ccc(/C=N/N=C/c2ccccn2)nc1
• Canonical SMILES: c1ccc(nc1)/C=N/N=C/c1ccccn1
• InChI: InChI=1S/C12H10N4/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14-12/h1-10H
• InChIKey: DMQJTSJKMFPBMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{[2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine
• IUPAC传统名: 2-{[2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine
• 别名: 2-PYRIDINEALDAZINE

登记号

• PubChem SID: 162105777
• PubChem CID: 6861553

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.352197
• LogD (pH = 7.4): 2.353977
• Log P: 2.3539996
• 摩尔折射率: 62.714 cm^3
• 极化性: 23.248207 Å^3
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05217961

MP Biomedicals Rare Chemical collection