CAS No.1150617-54-1,6-Bromo-1H-pyrazolo[4,3-b]pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1150617-54-1
Name:	6-Bromo-1H-pyrazolo[4,3-b]pyridine
Article Data:	5

Formula:	C₆H₄BrN₃
Molecular Weight:	198.022
Synonyms:	1H-Pyrazolo[4,3-b]pyridine, 6-bromo-;
Density:	1.895 g/cm³
Boiling Point:	328.998 °C at 760 mmHg
Flash Point:	152.773 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	41.57000
LogP:	1.72040

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Specification

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