1H-Pyrrolo[2,3-b]pyridine,3-bromo-5-chloro- (866546-09-0)

The 3-Bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine, with the CAS registry number 866546-09-0, is also known as 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-5-chloro-. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C₇H₄BrClN₂ and molecular weight is 231.48. Its systematic name is called 3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine.

Physical properties of 3-Bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68 ; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)Index of Refraction: 1.73; (8)Molar Refractivity: 49.2 cm³; (9)Molar Volume: 123.2 cm³; (10)Surface Tension: 65.9 dyne/cm; (11)Density: 1.878 g/cm³; (12)Melting Point: 240 °C; (13)Flash Point: 165.7 °C; (14)Enthalpy of Vaporization: 57.15 kJ/mol; (15)Boiling Point: 350.4 °C at 760 mmHg; (16)Vapour Pressure: 8.93E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(nc1)ncc2Br
(2)InChI: InChI=1/C7H4BrClN2/c8-6-3-11-7-5(6)1-4(9)2-10-7/h1-3H,(H,10,11)
(3)InChIKey: MWDJROWZDUZXBP-UHFFFAOYAU