CAS No.63572-73-6,5-Nitro-1H-pyrazolo[3,4-b]pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63572-73-6
Name:	5-Nitro-1H-pyrazolo[3,4-b]pyridine
Article Data:	1

Formula:	C₆H₄N₄O₂
Molecular Weight:	164.123
Synonyms:	5-Nitro-1H-pyrazolo[3,4-b]pyridine;
Density:	1.638 g/cm³
Melting Point:	212-213℃
Boiling Point:	385.6 °C at 760 mmHg
Flash Point:	187 °C
PSA:	87.39000
LogP:	1.38930

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Specification

The 1H-Pyrazolo[3,4-b]pyridine, 5-nitro- has the CAS registry number 63572-73-6. This chemical's molecular formula is C₆H₄N₄O₂ and molecular weight is 164.12. What's more, its systematic name is 5-nitro-1H-pyrazolo[3,4-b]pyridine.

Physical properties of 1H-Pyrazolo[3,4-b]pyridine, 5-nitro- are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 2.46; (6)ACD/BCF (pH 7.4): 1.56; (7)ACD/KOC (pH 5.5): 66.13; (8)ACD/KOC (pH 7.4): 41.97; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 87.39 Å²; (13)Index of Refraction: 1.761; (14)Molar Refractivity: 41.25 cm³; (15)Molar Volume: 100.1 cm³; (16)Polarizability: 16.35×10^-24cm³; (17)Surface Tension: 97.1 dyne/cm; (18)Density: 1.638 g/cm³; (19)Flash Point: 187 °C; (20)Enthalpy of Vaporization: 60.96 kJ/mol; (21)Boiling Point: 385.6 °C at 760 mmHg; (22)Vapour Pressure: 8.33E-06 mmHg at 25°C.

Preparation of 1H-Pyrazolo[3,4-b]pyridine, 5-nitro-: this chemical can be prepared by 1(2)H-pyrazol-3-ylamine and nitromalonaldehyde; sodium salt by heating. This reaction will need solvent H₂O with the reaction time of 15 min. The yield is about 65%.

1H-Pyrazolo[3,4-b]pyridine, 5-nitro- can be prepared by 1(2)H-pyrazol-3-ylamine and nitromalonaldehyde; sodium salt by heating

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2cnnc2nc1
(2)InChI: InChI=1S/C6H4N4O2/c11-10(12)5-1-4-2-8-9-6(4)7-3-5/h1-3H,(H,7,8,9)
(3)InChIKey: RXLQRSOJODHPES-UHFFFAOYSA-N