2H-Pyrrolo[3,2-c]pyridin-2-one,6-chloro-1,3-dihydro- (1000342-80-2)

The 6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one, with CAS registry number 1000342-80-2, belongs to the following product category: ChiraL Chemicals. It has the systematic name of 5-chloro-1,3-dihydro-2H-pyrrolo[2,3-c]pyridin-2-one. And the chemical formula of this chemical is C₇H₅ClN₂O.

Physical properties of 6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.47; (6)ACD/BCF (pH 7.4): 6.47; (7)ACD/KOC (pH 5.5): 132.47; (8)ACD/KOC (pH 7.4): 132.47; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.99 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 40.28 cm³; (15)Molar Volume: 116.2 cm³; (16)Polarizability: 15.96×10^-24cm³; (17)Surface Tension: 56.4 dyne/cm; (18)Enthalpy of Vaporization: 61.68 kJ/mol; (19)Vapour Pressure: 1.14E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2CC(=O)Nc2cn1
(2)InChI: InChI=1/C7H5ClN2O/c8-6-1-4-2-7(11)10-5(4)3-9-6/h1,3H,2H2,(H,10,11)
(3)InChIKey: QKPUTMUWAOGQJD-UHFFFAOYAX