1H-Pyrrolo[2,3-b]pyridine,4-methoxy- (122379-63-9)

The 4-Methoxy-7-azaindole, with the CAS registry number 122379-63-9, is also known as 4-Methoxy-1H-pyrrolo[2,3-b]pyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C₈H₈N₂O and formula weight is 148.16. What's more, both its IUPAC name and systematic name are the same which is called 4-Methoxy-1H-pyrrolo[2,3-b]pyridine.

Physical properties about this chemical are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 11.77; (7)ACD/KOC (pH 5.5): 5.34; (8)ACD/KOC (pH 7.4): 168.68; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 43.29 cm³; (15)Molar Volume: 119 cm³; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.244 g/cm³; (18)Flash Point: 94.5 °C; (19)Enthalpy of Vaporization: 49.05 kJ/mol; (20)Boiling Point: 272.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00995 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(OC)c2c1ncc2
(2)InChI: InChI=1/C8H8N2O/c1-11-7-3-5-10-8-6(7)2-4-9-8/h2-5H,1H3,(H,9,10)
(3)InChIKey: DNIKOOPKCLWWPO-UHFFFAOYAO