The systematic name of this chemical is 5-Bromo-8-chloro-1,7-naphthyridine. With the CAS registry number 909649-06-5, it is also called 1,7-Naphthyridine, 5-bromo-8-chloro-. And the its molecular formula is C8H4BrClN2. It belongs to the product category of Chiral chemicals.
The physical properties of 5-Bromo-8-chloro-1,7-naphthyridine are as following: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 25.78 Å2; (9)Index of Refraction: 1.691; (10)Molar Refractivity: 52.86 cm3; (11)Molar Volume: 138.1 cm3; (12)Polarizability: 20.95×10-24cm3; (13)Surface Tension: 60.8 dyne/cm; (14)Density: 1.762 g/cm3; (15)Flash Point: 161.5 °C; (16)Enthalpy of Vaporization: 56.41 kJ/mol; (17)Boiling Point: 343.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00014 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cnc(c2nc1)Cl)Br
(2)InChI: InChI=1/C8H4BrClN2/c9-6-4-12-8(10)7-5(6)2-1-3-11-7/h1-4H
(3)InChIKey: GEVCHQPTJOFDSA-UHFFFAOYAA
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