6-Bromo-1H-pyrazolo[3,4-b]pyridine supplier

Name
1H-Pyrazolo[3,4-b]pyridine, 6-bromo-
EINECS
CAS No. 934560-92-6
Article Data2
CAS DataBase
Density 1.9±0.1 g/cm³
Solubility
Melting Point
Formula C₆H₄BrN₃
Boiling Point 351.7±22.0 °C at 760 mmHg
Molecular Weight 198.022
Flash Point 166.5±22.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Y5665;
PSA 41.57000
LogP 1.72040

6-Bromo-1H-pyrazolo[3,4-b]pyridine 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

Product Name

1H-Pyrazolo[3,4-b]pyridine, 6-bromo-

6-Bromo-1H-pyrazolo[3,4-b]pyridine Specification

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