Cas no 1638759-99-5 (methyl 7-chloro-3H-imidazo[4,5-b]pyridine-2-carboxylate)
![methyl 7-chloro-3H-imidazo[4,5-b]pyridine-2-carboxylate structure](https://ossimg.kuujia.com/scimg/1639000/1638759-99-5x500.png)
1638759-99-5 structure
Product Name:methyl 7-chloro-3H-imidazo[4,5-b]pyridine-2-carboxylate
CAS No:1638759-99-5
MF:C8H6ClN3O2
MW:211.605140209198
CID:6639724
PubChem ID:131072254
Update Time:2024-01-15
methyl 7-chloro-3H-imidazo[4,5-b]pyridine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 7-chloro-3H-imidazo[4,5-b]pyridine-2-carboxylate
- 3H-Imidazo[4,5-b]pyridine-2-carboxylic acid, 7-chloro-, methyl ester
- 1638759-99-5
- Methyl7-chloro-3H-imidazo[4,5-b]pyridine-2-carboxylate
- SB17602
-
- Inchi： 1S/C8H6ClN3O2/c1-14-8(13)7-11-5-4(9)2-3-10-6(5)12-7/h2-3H,1H3,(H,10,11,12)
- InChI Key： UFCBMAQKDVTVHV-UHFFFAOYSA-N
- SMILES： C12NC(C(OC)=O)=NC1=C(Cl)C=CN=2
Computed Properties
- Exact Mass: 211.0148541g/mol
- Monoisotopic Mass: 211.0148541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 1.6
- Topological Polar Surface Area: 67.9?2
Experimental Properties
- Density: 1.531±0.06 g/cm3(Predicted)
- Boiling Point: 375.5±45.0 °C(Predicted)
- pka: 4.85±0.40(Predicted)
methyl 7-chloro-3H-imidazo[4,5-b]pyridine-2-carboxylate Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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