Cas no 6533-40-0 (3-Pyridinecarboxylic acid, 6-amino-, dihydrate (9CI))
6533-40-0 structure
Product Name:3-Pyridinecarboxylic acid, 6-amino-, dihydrate (9CI)
CAS No:6533-40-0
MF:C6H10N2O4
MW:174.154601573944
CID:1020689
PubChem ID:45117794
Update Time:2025-04-20
3-Pyridinecarboxylic acid, 6-amino-, dihydrate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 6-amino-, dihydrate (9CI)
- 6-aminopyridine-3-carboxylic acid,dihydrate
- 6-Aminonicotinic acid dihydrate [MI]
- 3-Pyridinecarboxylic acid, 6-amino-, dihydrate
- 6K612EK6FI
- UNII-6K612EK6FI
- 3-Pyridinecarboxylic acid, 6-amino-, hydrate (1:2)
- 3-pyridinecarboxylic acid,6-amino-,dihydrate
- 6-Aminonicotinic acid dihydrate
- DTXSID10215668
- Q27265039
- 6533-40-0
- Nicotinic acid, 6-amino-, dihydrate
-
- Inchi： 1S/C6H6N2O2.2H2O/c7-5-2-1-4(3-8-5)6(9)10;;/h1-3H,(H2,7,8)(H,9,10);2*1H2
- InChI Key： VWGQQEAGAVJJEU-UHFFFAOYSA-N
- SMILES： OC(C1=CN=C(C=C1)N)=O.O.O
Computed Properties
- Exact Mass: 174.064
- Monoisotopic Mass: 174.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 138
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.2A^2
3-Pyridinecarboxylic acid, 6-amino-, dihydrate (9CI) Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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