Cas no 6313-53-7 (4-Pyridinecarboxylicacid, 6-amino-1,2-dihydro-2-oxo-)
6313-53-7 structure
Product Name:4-Pyridinecarboxylicacid, 6-amino-1,2-dihydro-2-oxo-
4-Pyridinecarboxylicacid, 6-amino-1,2-dihydro-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylicacid, 6-amino-1,2-dihydro-2-oxo-
- 2-amino-6-oxo-1H-pyridine-4-carboxylic acid
- 2-amino-6-hydroxy-isonicotinic acid
- 2-Amino-6-hydroxy-isonicotinsaeure
- 6-amino-2-oxo-1,2-dihydropyridine-4-carboxylic acid
- AC1L5XT8
- AC1Q5T4V
- AR-1H0862
- CTK2F8552
- NSC40137
- SureCN6844134
-
- Inchi： 1S/C6H6N2O3/c7-4-1-3(6(10)11)2-5(9)8-4/h1-2H,(H,10,11)(H3,7,8,9)
- InChI Key： VJRBRHNNLIVUGO-UHFFFAOYSA-N
- SMILES： O=C1C=C(C(=O)O)C=C(N)N1
Computed Properties
- Exact Mass: 154.03788
- Monoisotopic Mass: 154.03784206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 278
- 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
- Topological Polar Surface Area: 92.4?2
Experimental Properties
- PSA: 92.42
- LogP: 0.23650
4-Pyridinecarboxylicacid, 6-amino-1,2-dihydro-2-oxo- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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