Cas no 1068976-76-0 (2-(2-pyridinyl)-5-pyrimidinecarbonyl chloride)
1068976-76-0 structure
Product Name:2-(2-pyridinyl)-5-pyrimidinecarbonyl chloride
CAS No:1068976-76-0
MF:C10H6ClN3O
MW:219.627140522003
CID:2112024
Update Time:2023-11-19
2-(2-pyridinyl)-5-pyrimidinecarbonyl chloride Chemical and Physical Properties
Names and Identifiers
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- 2-(2-pyridinyl)-5-Pyrimidinecarbonyl chloride
- QJIMAYZRQVRZEK-UHFFFAOYSA-N
- 2-(pyridine-2-yl)-pyrimidine-5-carbonyl chloride
- 2-pyridin-2-yl-pyrimidine-5-carboxylic acid chloride
- CID 86639367
- 5-Pyrimidinecarbonyl chloride, 2-(2-pyridinyl)-
- 2-(2-pyridinyl)-5-pyrimidinecarbonyl chloride
-
- Inchi： 1S/C10H6ClN3O/c11-9(15)7-5-13-10(14-6-7)8-3-1-2-4-12-8/h1-6H
- InChI Key： QJIMAYZRQVRZEK-UHFFFAOYSA-N
- SMILES： ClC(C1C=NC(C2C=CC=CN=2)=NC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 229
- Topological Polar Surface Area: 55.7
Experimental Properties
- Density: 1.365±0.06 g/cm3(Predicted)
- Boiling Point: 277.5±22.0 °C(Predicted)
- pka: 0.32±0.19(Predicted)
2-(2-pyridinyl)-5-pyrimidinecarbonyl chloride Related Literature
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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