Cas no 856851-24-6 (2,3-Pyridinediamine,6-nitro-)
2,3-Pyridinediamine,6-nitro- structure
Product Name:2,3-Pyridinediamine,6-nitro-
CAS No:856851-24-6
MF:C5H6N4O2
MW:154.12673997879
CID:717616
Update Time:2024-01-31
2,3-Pyridinediamine,6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Pyridinediamine,6-nitro-
- 6-nitropyridine-2,3-diamine
- Pyridine, 2,3-diamino-6-nitro- (5CI)
- 2,3-Diamino-6-nitropyridine
- Pyridine, 2,3-diamino-6-nitro- (5CI)
- 6-Nitro-2,3-pyridinediamine
- 2,3-Pyridinediamine, 6-nitro-
-
- Inchi： 1S/C5H6N4O2/c6-3-1-2-4(9(10)11)8-5(3)7/h1-2H,6H2,(H2,7,8)
- InChI Key： OESYDURQGNTTMM-UHFFFAOYSA-N
- SMILES： C1(N)=NC([N+]([O-])=O)=CC=C1N
Computed Properties
- Exact Mass: 154.04900
- Monoisotopic Mass: 154.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 157
- 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
- Topological Polar Surface Area: 111A^2
Experimental Properties
- PSA: 110.75000
- LogP: 1.83980
2,3-Pyridinediamine,6-nitro- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
856851-24-6 (2,3-Pyridinediamine,6-nitro-) Related Products
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