乙基5-溴吡唑并[1,5-A]吡啶-3-甲酸酯

Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate

HCID 53249841CAS 885276-93-7

子结构检索查找相似结构

基本信息

标准SMILES: CCOC(=O)c1cnn2ccc(Br)cc12
InChIKey: LJKZKCQPVABNLG-UHFFFAOYSA-N
分子式: C10H9BrN2O2
平均分子量: 269.09 g/mol
单同位素质量: 267.98473963

名称与标识

首选名称: Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
IUPAC: ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
中文名: 乙基5-溴吡唑并[1,5-A]吡啶-3-甲酸酯
英文名: 5-Bromo-pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester
分子式: C10H9BrN2O2
分子量: 269.09

名称与别名

ETHYL 5-BROMOPYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATEDTXSID90693081Ethyl 5-bromopyrazolo(1,5-a)pyridine-3-carboxylateRefChem:595729DTXCID00643830892-168-4885276-93-75-BROMO-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTERMFCD06739182SCHEMBL3074755Ethyl5-bromopyrazolo[1,5-a]pyridine-3-carboxylateAMY23626

展开更多名称

5-溴吡唑并[1,5-A]吡啶-3-羧酸乙酯5-溴吡唑并[1,5-A]吡啶-3-甲酸乙酯乙基5-溴吡唑并[1,5-A]吡啶-3-甲酸酯乙基5-溴吡唑并[1,5-A]吡啶-3-甲酸乙酯乙基5-溴吡唑并[1,5-A]吡啶-3-甲酸酯 10G5-溴吡唑并[1,5-A]吡啶-3-羧酸乙酯ETHYL 5-BROMOPYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATEEthyl 5-broMopyrazolo[1,5...Ethyl 5-bromopyrazolo1,5-apyridin-3-carboxylateethyl 5-broMoH-pyrazolo[1,5-a]pyridine-3-carboxylate5-Bromo-pyrazolo[1,5-a]pyridine-3-carboxylate ethyl ester5-Bromopyrazolo[1,5-a]pyridin-3-carboxylic acid ethyl ester5-bromo-3-pyrazolo[1,5-a]pyridinecarboxylic acid ethyl ester5-BroMo-1H-pyrazolo[1,5-a]pyridin-3-carboxylic acid ethyl esterPyrazolo[1,5-a]pyridine-3-carboxylicacid, 5-bromo-, ethyl es...Pyrazolo[1,5-a]pyridine-3-carboxylic acid, 5-broMo-, ethyl ester

CS-B1060Pyrazolo[1,5-a]pyridine-3-carboxylicacid, 5-bromo-, ethyl esterAKOS015998966PB21960DS-18508SY097009DB-077693EN300-234964

数据库标识

CAS: 885276-93-7
PubChem CID: 53249841
DTXSID: DTXSID90693081
EC Number: 892-168-4

性质

结构计算性质

XLogP: 2
极性表面积: 43.6 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 250

物理化学性质

密度: 1.6 · 1.60±0.1 g/cm3(Predicted)
储存条件: Sealed in dry,Room Temperature
酸度系数(pKa): -0.16 · -0.16±0.30(Predicted)
外观: White to off-white Solid
InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13/h3-6H,2H2,1H3
InChIKey: LJKZKCQPVABNLG-UHFFFAOYSA-N
SMILES: C12=C(C(OCC)=O)C=NN1C=CC(Br)=C2

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.