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

Name
4-IODO-7-AZA-1H-INDAZOLE
EINECS 200-589-5
CAS No. 861881-02-9
Article Data8
CAS DataBase
Density 2.2±0.1 g/cm³
Solubility
Melting Point
Formula C₆H₄IN₃
Boiling Point 379.8±22.0 °C at 760 mmHg
Molecular Weight 245.022
Flash Point 183.5±22.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-IODO-7-AZA-1H-INDAZOLE
PSA 41.57000
LogP 1.56250

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

4-Iodo-1H-pyrazolo[3,4-b]pyridine, with the CAS registry number 861881-02-9, is also named as 1H-Pyrazolo[3,4-b]pyridine, 4-iodo-. This chemical's molecular formula isC₆H₄IN₃ and molecular weight is 245.02. What's more, its systematic name is 4-Iodo-1H-pyrazolo[3,4-b]pyridine.

Physical properties of 4-Iodo-1H-pyrazolo[3,4-b]pyridine are: (1)ACD/LogP: 1.39±0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.65; (6)ACD/BCF (pH 7.4): 6.44; (7)ACD/KOC (pH 5.5): 134.96; (8)ACD/KOC (pH 7.4): 130.82; (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: 1.81; (14)Molar Refractivity: 47.6±0.3 cm³; (15)Molar Volume: 110.4±3.0 cm³; (16)Polarizability: 18.9±0.5×10^-24cm³; (17)Surface Tension: 84.4±3.0 dyne/cm; (18)Density: 2.2±0.1 g/cm³; (19)Flash Point: 183.5±22.3 °C; (20)Enthalpy of Vaporization: 60.3±3.0 kJ/mol; (21)Boiling Point: 379.8±22.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc2c(c1I)cn[nH]2
(2)Std. InChI: InChI=1S/C6H4IN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10)
(3)Std. InChIKey: PEHWWSPOLYSDBW-UHFFFAOYSA-N

Product Name

4-IODO-7-AZA-1H-INDAZOLE

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

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