1H-Pyrrolo[2,3-c]pyridine,3-bromo- (67058-76-8)

The 3-Bromo-1H-pyrrolo[2,3-c]pyridine, with the CAS registry number 67058-76-8, is also known as 1H-Pyrrolo[2,3-c]pyridine, 3-bromo-. It belongs to the product categories of Azaindole; Building Blocks. This chemical's molecular formula is C₇H₅BrN₂ and molecular weight is 197.03. Its IUPAC name is called 3-bromo-1H-pyrrolo[2,3-c]pyridine.

Physical properties of 3-Bromo-1H-pyrrolo[2,3-c]pyridine: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 100; (7)ACD/KOC (pH 5.5): 87; (8)ACD/KOC (pH 7.4): 904; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)Index of Refraction: 1.728; (12)Molar Refractivity: 44.31 cm³; (13)Molar Volume: 111.28 cm³; (14)Surface Tension: 64.495 dyne/cm; (15)Density: 1.771 g/cm³; (16)Flash Point: 169.702 °C; (17)Enthalpy of Vaporization: 57.857 kJ/mol; (18)Boiling Point: 356.99 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN=CC2=C1C(=CN2)Br
(2)InChI: InChI=1S/C7H5BrN2/c8-6-3-10-7-4-9-2-1-5(6)7/h1-4,10H
(3)InChIKey: DAGAQTLMZAEUKX-UHFFFAOYSA-N