7H-Pyrrolo[2,3-d]pyrimidine,6-bromo-4-chloro- (784150-41-0)

The 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine, with the CAS registry number 784150-41-0, is also called 7H-pyrrolo[2,3-d]pyrimidine, 6-bromo-4-chloro-. It belongs to the product category of Chiral Chemicals. And the molecular formula of the chemical is C₆H₃BrClN₃.

The characteristics of 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine are as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.14; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 41.57 Å²; (9)Index of Refraction: 1.746; (10)Molar Refractivity: 47.29 cm³; (11)Molar Volume: 116.4 cm³; (12)Polarizability: 18.74×10^-24cm³; (13)Surface Tension: 77.3 dyne/cm; (14)Density: 1.996 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c2c([nH]c1Br)ncnc2Cl
(2)InChI: InChI=1/C6H3BrClN3/c7-4-1-3-5(8)9-2-10-6(3)11-4/h1-2H,(H,9,10,11)
(3)InChIKey: NJPXMLQSSKQIJH-UHFFFAOYAG