2H-Pyrrolo[3,2-b]pyridin-2-one,5,6-dichloro-1,3-dihydro- (136888-26-1)

The 5,6-Dichloro-1H-pyrrolo[3,2-b]pyridin-2(3H)-one, with cas registry number 136888-26-1, has the systematic name of 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one. And its IUPAC name is the same one.

Physical properties about this chemical are: (1)ACD/LogP: 0.46; (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): 42; (8)ACD/KOC (pH 7.4): 42; (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: 1.623; (14)Molar Refractivity: 45.175 cm³; (15)Molar Volume: 128.18 cm³; (16)Polarizability: 17.909×10^-24cm³; (17)Surface Tension: 59.295 dyne/cm; (18)Enthalpy of Vaporization: 61.972 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1c2c(nc(c1Cl)Cl)CC(=O)N2
(2)InChI: InChI=1/C7H4Cl2N2O/c8-3-1-4-5(11-7(3)9)2-6(12)10-4/h1H,2H2,(H,10,12)
(3)InChIKey: WBELRPLQLMBTCK-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H4Cl2N2O/c8-3-1-4-5(11-7(3)9)2-6(12)10-4/h1H,2H2,(H,10,12)
(5)Std. InChIKey: WBELRPLQLMBTCK-UHFFFAOYSA-N