Cas no 55234-68-9 (ethyl 2-chloro-1,5-naphthyridine-3-carboxylate)
55234-68-9 structure
Product Name:ethyl 2-chloro-1,5-naphthyridine-3-carboxylate
CAS No:55234-68-9
MF:C11H9ClN2O2
MW:236.654361486435
CID:2759958
PubChem ID:12204019
Update Time:2025-04-21
ethyl 2-chloro-1,5-naphthyridine-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-chloro-1,5-naphthyridine-3-carboxylate
- 2-Chloro-1,5-naphthyridine-3-carboxylic acid ethyl ester
- 2-Chlor-1,5-naphthyridin-3-carbonsaeureethylester
- DTXSID00480343
- SCHEMBL26617498
- 55234-68-9
- DB-082879
- AT42145
-
- Inchi： 1S/C11H9ClN2O2/c1-2-16-11(15)7-6-9-8(14-10(7)12)4-3-5-13-9/h3-6H,2H2,1H3
- InChI Key： WVGRWQNJTBMEPJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)OCC)C=C2C(C=CC=N2)=N1
Computed Properties
- Exact Mass: 236.03500
- Monoisotopic Mass: 236.0352552Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 262
- 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: 2.4
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.08000
- LogP: 2.45990
ethyl 2-chloro-1,5-naphthyridine-3-carboxylate Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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