3-Bromo-7-azaindole

The IUPAC name of 3-Bromo-7-azaindole is 3-bromo-1H-pyrrolo[2,3-b]pyridine. With the CAS registry number 74420-15-8, it is also named as 1H-Pyrrolo[2,3-b]pyridine,3-bromo-. The product's categories are Heterocycles; Halides; Chiral Chemicals; Fused Ring Systems; Azaindole; Building Blocks. In addition, its molecular formula is C₇H₅BrN₂ and molecular weight is 197.03.

The other characteristics of 3-Bromo-7-azaindole can be summarized as: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.07; (6)ACD/BCF (pH 7.4): 54.9; (7)ACD/KOC (pH 5.5): 602.76; (8)ACD/KOC (pH 7.4): 612.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 44.3 cm³; (15)Molar Volume: 111.2 cm³; (16)Polarizability: 17.56×10^-24cm³; (17)Surface Tension: 64.4 dyne/cm; (18)Density: 1.77 g/cm³; (19)Flash Point: 157.3 °C; (20)Melting point: 185-189 °C; (21)Enthalpy of Vaporization: 55.66 kJ/mol; (22)Boiling Point: 336.4 °C at 760 mmHg; (23)Vapour Pressure: 0.000219 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It also irritates to respiratory system and skin. Moreover, it is risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc2c1cccnc1nc2
(2)InChI: InChI=1/C7H5BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
(3)InChIKey: VJDGIJDCXIEXPF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H5BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
(5)Std. InChIKey: VJDGIJDCXIEXPF-UHFFFAOYSA-N