Cas no 1283958-08-6 (Methyl 4-chloro-2-(pyridin-3-yl)pyrimidine-5-carboxylate)
1283958-08-6 structure
Product Name:Methyl 4-chloro-2-(pyridin-3-yl)pyrimidine-5-carboxylate
CAS No:1283958-08-6
MF:C11H8ClN3O2
MW:249.653120994568
CID:2130338
Update Time:2023-11-19
Methyl 4-chloro-2-(pyridin-3-yl)pyrimidine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-2-(3-pyridinyl)- 5-Pyrimidinecarboxylic acid methyl ester
- methyl 4-chloro-2-(pyridin-3-yl)pyrimidine-5-carboxylate
- CID 82169056
- 5-Pyrimidinecarboxylic acid, 4-chloro-2-(3-pyridinyl)-, methyl ester
- Methyl 4-chloro-2-(pyridin-3-yl)pyrimidine-5-carboxylate
-
- Inchi： 1S/C11H8ClN3O2/c1-17-11(16)8-6-14-10(15-9(8)12)7-3-2-4-13-5-7/h2-6H,1H3
- InChI Key： WEKYLPXLXQAGAL-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)OC)C=NC(C2C=NC=CC=2)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 277
- Topological Polar Surface Area: 65
Experimental Properties
- Density: 1.355±0.06 g/cm3(Predicted)
- Boiling Point: 321.6±34.0 °C(Predicted)
- pka: 2.30±0.12(Predicted)
Methyl 4-chloro-2-(pyridin-3-yl)pyrimidine-5-carboxylate Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
1283958-08-6 (Methyl 4-chloro-2-(pyridin-3-yl)pyrimidine-5-carboxylate) Related Products
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