4-Cyano-7-azaindole (344327-11-3)

The 4-Cyano-7-azaindole, with the CAS registry number 344327-11-3, is also known as 7-Azaindole-4-carbonitrile. It belongs to the product category of Pyridine. This chemical's molecular formula is C₈H₅N₃ and molecular weight is 143.15. What's more, its systematic name is called 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile. 

Physical properties about 4-Cyano-7-azaindole are: (1) ACD/LogP: 0.47; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0; (4) ACD/LogD (pH 7.4): 0; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 43; (8) ACD/KOC (pH 7.4): 43; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 52.47 Å²; (13) Index of Refraction: 1.685; (14) Molar Refractivity: 40.601 cm3; (15) Molar Volume: 106.854 cm³; (16) Surface Tension: 75.365 dyne/cm; (17) Density: 1.34 g/cm³; (18) Melting Point: 195-197 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to respiratory system, skin and may cause inflammation to the skin or other mucous membranes. In addition, it is harmful if swallowed and may risk of serious damage to eyes. Therefore, you should wear eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c[nH]c2c1c(ccn2)C#N
(2) InChI: InChI=1/C8H5N3/c9-5-6-1-3-10-8-7(6)2-4-11-8/h1-4H,(H,10,11)
(3) InChIKey: HAROKQXDLYCEQV-UHFFFAOYAL