5-Bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine (1111638-02-8)

The CAS register number of 5-Bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine is 1111638-02-8. It also can be called as 1H-pyrrolo[2,3-b]pyridine, 5-bromo-2-methyl- and the IUPAC name about this chemical is 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine. The molecular formula about this chemical is C₈H₇BrN₂ and molecular weight is 211.06.

Physical properties about 5-Bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine are: (1)ACD/LogP: 0.86; (2)ACD/LogD (pH 5.5): 0.862; (3)ACD/LogD (pH 7.4): 0.864; (4)ACD/BCF (pH 5.5): 2.662; (5)ACD/BCF (pH 7.4): 2.669; (6)ACD/KOC (pH 5.5): 70.086; (7)ACD/KOC (pH 7.4): 70.274; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68Ų; (11)Index of Refraction: 1.697; (12)Molar Refractivity: 49.135 cm³; (13)Molar Volume: 127.555 cm³; (14)Polarizability: 19.479x10^-24cm³; (15)Surface Tension: 58.654 dyne/cm; (16)Enthalpy of Vaporization: 53.988 kJ/mol; (17)Boiling Point: 320.567 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2cc(cnc2[nH]1)Br
(2)InChI: InChI=1/C8H7BrN2/c1-5-2-6-3-7(9)4-10-8(6)11-5/h2-4H,1H3,(H,10,11)
(3)InChIKey: IWLFWGLFINYFHA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-5-2-6-3-7(9)4-10-8(6)11-5/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: IWLFWGLFINYFHA-UHFFFAOYSA-N