6-Chloro-5-Azaindole

The 6-Chloro-5-Azaindole is an organic compound with the formula C₇H₅ClN₂. The IUPAC name of this chemical is 6-chloro-1H-pyrrolo[3,2-c]pyridine. With the CAS registry number 74976-31-1, it is also named as 1H-pyrrolo[3,2-c]pyridine, 6-chloro-.

Physical properties about 6-Chloro-5-Azaindole are: (1)ACD/LogP: 1.32 ; (2)ACD/LogD (pH 5.5): 0.67; (3)ACD/LogD (pH 7.4): 1.3; (4)ACD/BCF (pH 5.5): 1.34; (5)ACD/BCF (pH 7.4): 5.7; (6)ACD/KOC (pH 5.5): 28.06; (7)ACD/KOC (pH 7.4): 119.46; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68 Å²; (11)Index of Refraction: 1.703; (12)Molar Refractivity: 41.51 cm³; (13)Molar Volume: 107 cm³; (14)Polarizability: 16.45×10^-24cm³; (15)Surface Tension: 62.2 dyne/cm; (16)Density: 1.425 g/cm³; (17)Flash Point: 187.2 °C; (18)Enthalpy of Vaporization: 55.59 kJ/mol; (19)Boiling Point: 335.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000228 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine. This reaction will need reagent dichlorodicyanoquinone and solvent toluene. The reaction time is 6 hours by heating. The yield is about 93%.

Uses of 6-Chloro-5-Azaindole: it can be used to produce 3-dimethylaminomethyl-6-chloro-5-azaindole dihydrochloride monohydrate by heating. It will need reagent dioxane with reaction time of 13 hours. The yield is about 67%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2nccc2cn1
(2)InChI: InChI=1/C7H5ClN2/c8-7-3-6-5(4-10-7)1-2-9-6/h1-4,9H
(3)InChIKey: CBHXTZKXDLDMJZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H5ClN2/c8-7-3-6-5(4-10-7)1-2-9-6/h1-4,9H
(5)Std. InChIKey: CBHXTZKXDLDMJZ-UHFFFAOYSA-N