Cas no 78750-77-3 (Ethyl 4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzoate)
![Ethyl 4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzoate structure](https://ossimg.kuujia.com/scimg/79000/78750-77-3x500.png)
78750-77-3 structure
Product Name:Ethyl 4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzoate
CAS No:78750-77-3
MF:C14H12N4O2
MW:268.2706823349
CID:2802152
PubChem ID:13359276
Update Time:2025-04-21
Ethyl 4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzoate
- 78750-77-3
- SCHEMBL16177316
- DTXSID00538212
-
- Inchi： 1S/C14H12N4O2/c1-2-20-14(19)10-5-7-11(8-6-10)18-13-12(16-17-18)4-3-9-15-13/h3-9H,2H2,1H3
- InChI Key： RXJXVKYRPLLERS-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(=CC=1)N1C2C(=CC=CN=2)N=N1)=O
Computed Properties
- Exact Mass: 268.09602564Da
- Monoisotopic Mass: 268.09602564Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 344
- 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: 2.3
- Topological Polar Surface Area: 69.9?2
Ethyl 4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzoate Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
78750-77-3 (Ethyl 4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzoate) Related Products
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