Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Bromo-1H-pyrazolo[4,3-b]pyridine |
EINECS | N/A |
CAS No. | 1150617-54-1 | Density | 1.895 g/cm3 |
PSA | 41.57000 | LogP | 1.72040 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H4BrN3 | Boiling Point | 328.998 °C at 760 mmHg |
Molecular Weight | 198.022 | Flash Point | 152.773 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
1H-Pyrazolo[4,3-b]pyridine, 6-bromo-; |
Article Data | 5 |
The CAS registry number of 6-Bromo-1H-pyrazolo[4,3-b]pyridine is 1150617-54-1. This chemical is also named as 1H-Pyrazolo[4,3-b]pyridine, 6-bromo-. In addition, its molecular formula is C6H4BrN3 and molecular weight is 198.02006. Its systematic name is called 6-Bromo-1H-pyrazolo[4,3-b]pyridine.
Physical properties about this chemical are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.268; (4)ACD/LogD (pH 7.4): 1.267; (5)ACD/BCF (pH 5.5): 5.42; (6)ACD/BCF (pH 7.4): 5.396; (7)ACD/KOC (pH 5.5): 116.68; (8)ACD/KOC (pH 7.4): 116.156; (9)#H bond acceptors: 3#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Index of Refraction: 1.746; (12)Molar Refractivity: 42.401 cm3; (13)Molar Volume: 104.504 cm3; (14)Surface Tension: 76.935 dyne/cm; (15)Density: 1.895 g/cm3; (16)Flash Point: 152.773 °C; (17)Enthalpy of Vaporization: 54.875 kJ/mol; (18)Boiling Point: 328.998 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc2c1[nH]nc2)Br
(2)InChI: InChI=1/C6H4BrN3/c7-4-1-5-6(8-2-4)3-9-10-5/h1-3H,(H,9,10)
(3)InChIKey: FONNZZMIJPHSJP-UHFFFAOYAB