Cas no 92199-59-2 (4-Pyridinecarboxylic acid, 2-phenyl-, ethyl ester)
92199-59-2 structure
Product Name:4-Pyridinecarboxylic acid, 2-phenyl-, ethyl ester
CAS No:92199-59-2
MF:C14H13NO2
MW:227.258523702621
CID:1972173
PubChem ID:16125935
Update Time:2025-04-21
4-Pyridinecarboxylic acid, 2-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylic acid, 2-phenyl-, ethyl ester
- SCHEMBL4763680
- ethyl 2-phenylisonicotinate
- LGGVBTZLSYDTFP-UHFFFAOYSA-N
- DB-124790
- ethyl 2-phenylpyridine-4-carboxylate
- 92199-59-2
-
- Inchi： 1S/C14H13NO2/c1-2-17-14(16)12-8-9-15-13(10-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3
- InChI Key： LGGVBTZLSYDTFP-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CN=C(C=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 227.094628657g/mol
- Monoisotopic Mass: 227.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 249
- 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: 3
- Topological Polar Surface Area: 39.2?2
4-Pyridinecarboxylic acid, 2-phenyl-, ethyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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