Cas no 1235382-76-9 (Ethyl 8-bromo-1,6-naphthyridine-2-carboxylate)
1235382-76-9 structure
Product Name:Ethyl 8-bromo-1,6-naphthyridine-2-carboxylate
CAS No:1235382-76-9
MF:C11H9BrN2O2
MW:281.105361700058
CID:2136478
Update Time:2023-08-04
Ethyl 8-bromo-1,6-naphthyridine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- ethyl 8-bromo-1,6-naphthyridine-2-carboxylate
- Ethyl 8-bromo-1,6-naphthyridine-2-carboxylate
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- Inchi： 1S/C11H9BrN2O2/c1-2-16-11(15)9-4-3-7-5-13-6-8(12)10(7)14-9/h3-6H,2H2,1H3
- InChI Key： XIPURXXDOLWZLF-UHFFFAOYSA-N
- SMILES： BrC1=CN=CC2=CC=C(C(=O)OCC)N=C21
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 262
- Topological Polar Surface Area: 52.1
Ethyl 8-bromo-1,6-naphthyridine-2-carboxylate Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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