1H-Pyrazolo[3,4-b]pyridine,5-bromo-3-iodo- supplier

Name
5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine
EINECS
CAS No. 875781-18-3
Article Data25
CAS DataBase
Density 2.559 g/cm³
Solubility
Melting Point
Formula C₆H₃BrIN₃
Boiling Point 409.1 °C at 760 mmHg
Molecular Weight 323.918
Flash Point 201.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms AC1Q25BJ;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;
PSA 41.57000
LogP 2.32500

1H-Pyrazolo[3,4-b]pyridine,5-bromo-3-iodo- Specification

The 1H-Pyrazolo[3,4-b]pyridine,5-bromo-3-iodo-, with the CAS registry number 875781-18-3, is also known as AC1Q25BJ. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C₆H₃BrIN₃ and molecular weight is 323.91659. Its IUPAC name is called 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine.

Physical properties of 1H-Pyrazolo[3,4-b]pyridine,5-bromo-3-iodo-: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 1.65; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)Index of Refraction: 1.824; (7)Molar Refractivity: 55.3 cm³; (8)Molar Volume: 126.5 cm³; (9)Surface Tension: 85.6 dyne/cm; (10)Density: 2.559 g/cm³; (11)Flash Point: 201.2 °C; (12)Enthalpy of Vaporization: 63.55 kJ/mol; (13)Boiling Point: 409.1 °C at 760 mmHg; (14)Vapour Pressure: 1.57E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=NC2=NNC(=C21)I)Br
(2)InChI: InChI=1S/C6H3BrIN3/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H,9,10,11)
(3)InChIKey: ZBPXFBHBTCYAQS-UHFFFAOYSA-N

Product Name

5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine

1H-Pyrazolo[3,4-b]pyridine,5-bromo-3-iodo- Specification

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