Cas no 1044772-75-9 (ethyl 5-chloro-1H-imidazo[4,5-b]pyridine-2-carboxylate)
![ethyl 5-chloro-1H-imidazo[4,5-b]pyridine-2-carboxylate structure](https://ossimg.kuujia.com/scimg/1045000/1044772-75-9x500.png)
1044772-75-9 structure
Product Name:ethyl 5-chloro-1H-imidazo[4,5-b]pyridine-2-carboxylate
CAS No:1044772-75-9
MF:C9H8ClN3O2
MW:225.631720542908
CID:6835963
PubChem ID:24904025
Update Time:2025-04-03
ethyl 5-chloro-1H-imidazo[4,5-b]pyridine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- SY352041
- Ethyl 5-chloro-3H-imidazo[4,5-b]pyridine-2-carboxylate
- ethyl 5-chloro-1H-imidazo[4,5-b]pyridine-2-carboxylate
- DTXSID201208112
- MFCD11047208
- 1044772-75-9
- 3H-Imidazo[4,5-b]pyridine-2-carboxylic acid, 5-chloro-, ethyl ester
-
- Inchi： 1S/C9H8ClN3O2/c1-2-15-9(14)8-11-5-3-4-6(10)12-7(5)13-8/h3-4H,2H2,1H3,(H,11,12,13)
- InChI Key： HJXGNUPEACAWBG-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(N=1)N=C(C(=O)OCC)N2
Computed Properties
- Exact Mass: 225.0305042Da
- Monoisotopic Mass: 225.0305042Da
- 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
ethyl 5-chloro-1H-imidazo[4,5-b]pyridine-2-carboxylate Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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