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934560-92-6

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Basic Information
CAS No.: 934560-92-6
Name: 1H-Pyrazolo[3,4-b]pyridine, 6-bromo-
Article Data: 2
Molecular Structure:
Molecular Structure of 934560-92-6 (1H-Pyrazolo[3,4-b]pyridine, 6-bromo-)
Formula: C6H4BrN3
Molecular Weight: 198.022
Synonyms: Y5665;
Density: 1.9±0.1 g/cm3
Boiling Point: 351.7±22.0 °C at 760 mmHg
Flash Point: 166.5±22.3 °C
PSA: 41.57000
LogP: 1.72040
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Specification

6-Bromo-1H-pyrazolo[3,4-b]pyridine, with the CAS registry number 934560-92-6, is also named as 1H-Pyrazolo[3,4-b]pyridine, 6-bromo-. This chemical's molecular formula is C6H4BrN3 and molecular weight is 198.02. What's more, its systematic name is 6-Bromo-1H-pyrazolo[3,4-b]pyridine.

Physical properties of 6-Bromo-1H-pyrazolo[3,4-b]pyridine are: (1)ACD/LogP: 1.29±0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.66; (6)ACD/BCF (pH 7.4): 5.40; (7)ACD/KOC (pH 5.5): 120.36; (8)ACD/KOC (pH 7.4): 114.74; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.746; (14)Molar Refractivity: 42.4±0.3 cm3; (15)Molar Volume: 104.5±3.0 cm3; (16)Polarizability: 16.8±0.5×10-24cm3; (17)Surface Tension: 76.9±3.0 dyne/cm; (18)Density: 1.9±0.1 g/cm3; (19)Flash Point: 166.5±22.3 °C; (20)Enthalpy of Vaporization: 57.3±3.0 kJ/mol; (21)Boiling Point: 351.7±22.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc2c1cn[nH]2)Br
(2)Std. InChI: InChI=1S/C6H4BrN3/c7-5-2-1-4-3-8-10-6(4)9-5/h1-3H,(H,8,9,10)
(3)Std. InChIKey: GRLXWXRTASHOBS-UHFFFAOYSA-N