Cas no 63045-74-9 (4-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-2-NITRO-)
63045-74-9 structure
Product Name:4-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-2-NITRO-
CAS No:63045-74-9
MF:C6H4N2O5
MW:184.10636138916
CID:3312023
PubChem ID:12326197
Update Time:2025-04-21
4-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-2-NITRO- Chemical and Physical Properties
Names and Identifiers
-
- 4-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-2-NITRO-
- SCHEMBL23022139
- 63045-74-9
- 3-hydroxy-2-nitro-4-Pyridinecarboxylic acid
- 2-nitro-3-hydroxyisonicotinic acid
- 3-Hydroxy-2-nitroisonicotinic acid
- DB-424998
-
- Inchi： 1S/C6H4N2O5/c9-4-3(6(10)11)1-2-7-5(4)8(12)13/h1-2,9H,(H,10,11)
- InChI Key： BDPKNPUQDXKFHV-UHFFFAOYSA-N
- SMILES： C1([N+]([O-])=O)=NC=CC(C(O)=O)=C1O
Computed Properties
- Exact Mass: 184.01202123Da
- Monoisotopic Mass: 184.01202123Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 226
- 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: 0.7
- Topological Polar Surface Area: 116?2
4-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-2-NITRO- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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