HCID73014178

(6-Bromo-4-chloro-pyrrolo[2,3-b]pyridin-1-yl)-phenyl-methanone

(6-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone

C14H8BrClN2O335.58 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(c1ccccc1)n1ccc2c(Cl)cc(Br)nc21
InChIKey: JZSCEERAOZKYNS-UHFFFAOYSA-N
分子式: C14H8BrClN2O
平均分子量: 335.58 g/mol
单同位素质量: 333.95085

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 34.9 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 19
形式电荷: 0
复杂度: 348

ALIASES

名称与别名

共 9 条

1171896-08-4Methanone, (6-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-1-yl)phenyl-(6-Bromo-4-chloro-pyrrolo[2,3-b]pyridin-1-yl)-phenyl-methanoneSCHEMBL3719610SCHEMBL29548834JZSCEERAOZKYNS-UHFFFAOYSA-NMethanone,(6-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-1-yl)phenyl-DB-160873(6-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-1-yl)phenylmethanone

REACTIONS

参与反应

2 条

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08314112B2

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