HCID10561179

7H-Pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, 4-chloro-, ethyl ester

ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

C9H8ClN3O2225.63 g/molCAS 144927-57-1

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1c[nH]c2ncnc(Cl)c12
InChIKey: PCLIRPRTLSCXET-UHFFFAOYSA-N
分子式: C9H8ClN3O2
平均分子量: 225.63 g/mol
单同位素质量: 225.0305042

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 67.9 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 252

ALIASES

名称与别名

共 24 条

144927-57-17H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID, 4-CHLORO-, ETHYL ESTER7H-Pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, 4-chloro-, ethyl esterRefChem:311497ETHYL 4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBOXYLATEMFCD11518913Ethyl 4-chloro-7H-pyrrolo-[2,3-d]pyrimidine-5-carboxylatePCLIRPRTLSCXET-UHFFFAOYSA-NEthyl4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylateSCHEMBL355606DTXSID50441767AKOS015850502AKOS028109246CS-W006018PB14937DS-10852SY012779DB-063572F0769374-Chloro-5-ethoxycarbonyl-7H-pyrrolo[2,3-d]pyrimidine

REACTIONS