Cas no 2102410-03-5 (ETHYL 5-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLATE)
![ETHYL 5-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLATE structure](https://ossimg.kuujia.com/scimg/2102500/2102410-03-5x500.png)
2102410-03-5 structure
Product Name:ETHYL 5-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLATE
CAS No:2102410-03-5
MF:C9H8ClN3O2
MW:225.631720542908
CID:5746149
PubChem ID:138111038
Update Time:2023-11-11
ETHYL 5-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLATE Chemical and Physical Properties
Names and Identifiers
-
- ETHYL 5-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLATE
- 2102410-03-5
- ETHYL5-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLATE
- CID 138111038
- 1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid, 5-chloro-, ethyl ester
-
- Inchi： 1S/C9H8ClN3O2/c1-2-15-9(14)8-7-5(12-13-8)3-4-6(10)11-7/h3-4H,2H2,1H3,(H,12,13)
- InChI Key： LTHTYAZBFPAXNW-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C(C(=O)OCC)=NN2)N=1
Computed Properties
- Exact Mass: 225.0305042g/mol
- Monoisotopic Mass: 225.0305042g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 67.9?2
Experimental Properties
- Density: 1.458±0.06 g/cm3(Predicted)
- Boiling Point: 395.5±37.0 °C(Predicted)
- pka: 7.67±0.40(Predicted)
ETHYL 5-CHLORO-1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLATE Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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