Cas no 111374-71-1 (3-Pyridinecarboxylicacid, 2-amino-5-fluoro-6-methoxy-, methyl ester)
111374-71-1 structure
Product Name:3-Pyridinecarboxylicacid, 2-amino-5-fluoro-6-methoxy-, methyl ester
CAS No:111374-71-1
MF:C8H9FN2O3
MW:200.167065382004
CID:129237
PubChem ID:14050997
Update Time:2025-04-18
3-Pyridinecarboxylicacid, 2-amino-5-fluoro-6-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarboxylicacid, 2-amino-5-fluoro-6-methoxy-, methyl ester
- 3-Pyridinecarboxylicacid,2-amino-5-fluoro-6-methoxy-,methylester(9CI)
- 111374-71-1
- METHYL 2-AMINO-5-FLUORO-6-METHOXYPYRIDINE-3-CARBOXYLATE
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- Inchi： 1S/C8H9FN2O3/c1-13-7-5(9)3-4(6(10)11-7)8(12)14-2/h3H,1-2H3,(H2,10,11)
- InChI Key： KXNXPBHMWXXNHW-UHFFFAOYSA-N
- SMILES： FC1=C(N=C(C(C(=O)OC)=C1)N)OC
Computed Properties
- Exact Mass: 200.06000
- Monoisotopic Mass: 200.05972032g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 1.3
- Topological Polar Surface Area: 74.4?2
Experimental Properties
- PSA: 74.44000
- LogP: 1.17930
3-Pyridinecarboxylicacid, 2-amino-5-fluoro-6-methoxy-, methyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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