2-Benzyloxy-3-bromopyridine (52200-49-4)

The 2-(Benzyloxy)-3-bromopyridine , with cas registry number of 52200-49-4, belongs to the categories of Heterocyclic Compounds; Pyridines. Its systematic name is called 2-benzyloxy-3-bromo-pyridine . This chemical is often used as an pharmaceutical intermediate.

Physical properties about this chemical are: (1) ACD/LogP: 3.80 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.8 ; (4) ACD/LogD (pH 7.4): 3.8 ; (5) #H bond acceptors: 2 ; (6) #H bond donors: 0 ; (7) #Freely Rotating Bonds: 3 ; (8) Polar Surface Area: 22.12 Å² ; (9) Index of Refraction: 1.604 ; (10) Molar Refractivity: 63.2 cm³ ; (11) Molar Volume: 183.5 cm³ ; (12) Surface Tension: 47 dyne/cm ; (13) Density: 1.438 g/cm³ ; (14) Flash Point: 150.9 °C ; (15) Enthalpy of Vaporization: 54.54 kJ/mol ; (16) Boiling Point: 325.8 °C at 760 mmHg ; (17) Vapour Pressure: 0.000426 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:Brc2cccnc2OCc1ccccc1;
(2) InChI:InChI=1/C12H10BrNO/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2;
(3) InChIKey:RPBPHGSYVPJXKT-UHFFFAOYAJ