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

Name
3-Bromo-1H-pyrazolo[4,3-b]pyridine
EINECS
CAS No. 633328-33-3
Article Data5
CAS DataBase
Density 1.894 g/cm³
Solubility
Melting Point
Formula C₆H₄BrN₃
Boiling Point 366.9 °C at 760 mmHg
Molecular Weight 198.022
Flash Point 175.7 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 1H-Pyrazolo[4, 3-b]pyridine, 3-bromo-;
PSA 41.57000
LogP 1.72040

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

The 3-Bromo-1H-pyrazolo[4, 3-b]pyridine, with the CAS registry number 633328-33-3, is also known as 1H-Pyrazolo[4, 3-b]pyridine, 3-bromo-. It belongs to the product categories of Chiral Chemicals; Building Blocks; Pyrazolo[x, x-y]pyridine. This chemical's molecular formula is C₆H₄BrN₃ and molecular weight is 198.0201. What's more, its IUPAC name is 3-Bromo-2H-pyrazolo[4, 3-b]pyridine.

Physical properties about 3-Bromo-1H-pyrazolo[4, 3-b]pyridine are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.21; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 41.57 Å²; (9)Index of Refraction: 1.745; (10)Molar Refractivity: 42.4 cm³; (11)Molar Volume: 104.5 cm³; (12)Polarizability: 16.8×10^-24 cm³; (13)Surface Tension: 76.9 dyne/cm; (14)Density: 1.894 g/cm³; (15)Flash Point: 175.7 °C; (16)Enthalpy of Vaporization: 58.93 kJ/mol; (17)Boiling Point: 366.9 °C at 760 mmHg; (18)Vapour Pressure: 2.99E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(c(n[nH]2)Br)nc1
(2) InChI: InChI=1/C6H4BrN3/c7-6-5-4(9-10-6)2-1-3-8-5/h1-3H,(H,9,10)
(3) InChIKey: SXDNKFXWUFUOBP-UHFFFAOYAV

Product Name

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

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

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