HCID22662844

Methyl 3-amino-6-fluoro-2-pyrazinecarboxylate

methyl 3-amino-6-fluoropyrazine-2-carboxylate

C6H6FN3O2171.13 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1nc(F)cnc1N
InChIKey: WIPMWMPRTSANAH-UHFFFAOYSA-N
分子式: C6H6FN3O2
平均分子量: 171.13 g/mol
单同位素质量: 171.0444046

COMPUTED

结构计算性质

已同步

XLogP: 0.6
极性表面积: 78.1 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 178

ALIASES

名称与别名

共 7 条

methyl 3-amino-6-fluoropyrazine-2-carboxylatemethyl 3-amino-6-fluoro-2-pyrazinecarboxylate356783-41-0SCHEMBL6375540WIPMWMPRTSANAH-UHFFFAOYSA-NDB-431054CS-0531006

REACTIONS

参与反应

5 条

uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06800629B2

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uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06800629B2

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uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06800629B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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