Cas no 1409950-22-6 (5-isopropoxypyridine-2-carbonitrile)
1409950-22-6 structure
Product Name:5-isopropoxypyridine-2-carbonitrile
CAS No:1409950-22-6
MF:C9H10N2O
MW:162.188501834869
CID:2115061
Update Time:2023-11-19
5-isopropoxypyridine-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-isopropoxypyridine-2-carbonitrile
- 5-isopropoxypicolinonitrile
- XWENIMFFLBIXKK-UHFFFAOYSA-N
- 5-(propan-2-yloxy)pyridine-2-carbonitrile
- CID 86683172
- 2-Pyridinecarbonitrile, 5-(1-methylethoxy)-
-
- Inchi： 1S/C9H10N2O/c1-7(2)12-9-4-3-8(5-10)11-6-9/h3-4,6-7H,1-2H3
- InChI Key： XWENIMFFLBIXKK-UHFFFAOYSA-N
- SMILES： O(C1C=NC(C#N)=CC=1)C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 182
- Topological Polar Surface Area: 45.9
Experimental Properties
- Density: 1.08±0.1 g/cm3(Predicted)
- Boiling Point: 304.4±22.0 °C(Predicted)
- pka: -4.13±0.10(Predicted)
5-isopropoxypyridine-2-carbonitrile Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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