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| CAS No.: | 62908-83-2 |
|---|---|
| Name: | 3-Methyl-5-nitro-1H-pyrazolo[3,4-b]pyridine ,97% |
| Molecular Structure: | |
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| Formula: | C7H6N4O2 |
| Molecular Weight: | 178.15 |
| Synonyms: | 3-Methyl-5-nitro-1H-pyrazolo[3,4-b]pyridine ,97%;3-Methyl-5-nitro-1H-pyrazolo[3,4-b]pyridine;1H-Pyrazolo[3,4-b]pyridine, 3-Methyl-5-nitro- |
| Density: | 1.66 |
| Melting Point: | 188-190℃ |
| Boiling Point: | 243℃ |
| Flash Point: | 101℃ |
| PSA: | 87.39000 |
| LogP: | 1.69770 |
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Specification
The 1H-Pyrazolo[3,4-b]pyridine,3-methyl-5-nitro- has CAS registry number 62908-83-2. This chemical's molecular formula is C7H6N4O2 and molecular weight is 178.15. What's more, its systematic name is 3-methyl-5-nitro-1H-pyrazolo[3,4-b]pyridine.
Physical properties of 1H-Pyrazolo[3,4-b]pyridine,3-methyl-5-nitro- are: (1)ACD/LogP: 0.388; (2)ACD/LogD (pH 5.5): 0.387; (3)ACD/LogD (pH 7.4): 0.295; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 1; (6)#H bond donors: 1; (7)Polar Surface Area: 87.39.
Preparation: this chemical can be prepared by 3-methyl-1H-pyrazolo[3,4-b]pyridine at the temperature of 90°C. This reaction will need reagents sulfuric acid, 90 percent nitric acid with the reaction time of 0.5 hour. The yield is about 70%.
![1H-Pyrazolo[3,4-b]pyridine,3-methyl-5-nitro- can be prepared by 3-methyl-1H-pyrazolo[3,4-b]pyridine at the temperature of 90°C](/UserFilesUpload/preparation of 1H-Pyrazolo[3,4-b]pyridine,3-methyl-5-nitro-.jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c2cc(cnc2[nH]n1)[N+](=O)[O-]
(2)Std. InChI: InChI=1S/C7H6N4O2/c1-4-6-2-5(11(12)13)3-8-7(6)10-9-4/h2-3H,1H3,(H,8,9,10)
(3)Std. InChIKey: VHUAFDKORZHXOD-UHFFFAOYSA-N