1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, 6-chloro-, ethyl ester (287384-84-3)

The Ethyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate, with the cas registry number 287384-84-3, is also called 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-, ethyl ester. It belongs to the category of Chiral chemicals. And the molecular formula of the chemical is C₁₀H₉ClN₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 228; (6)ACD/BCF (pH 7.4): 228; (7)ACD/KOC (pH 5.5): 1696; (8)ACD/KOC (pH 7.4): 1695; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.98 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 57.921 cm³; (15)Molar Volume: 161.446 cm³; (16)Polarizability: 22.962×10^-24cm³; (17)Surface Tension: 57.909 dyne/cm; (18)Density: 1.391 g/cm³; (19)Flash Point: 185.417 °C; (20)Enthalpy of Vaporization: 63.146 kJ/mol; (21)Boiling Point: 382.975 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)c1cc2ccc(Cl)nc2n1
(2)InChI: InChI=1/C10H9ClN2O2/c1-2-15-10(14)7-5-6-3-4-8(11)13-9(6)12-7/h3-5H,2H2,1H3,(H,12,13)
(3)InChIKey: DLOFYLZHQBTQQA-UHFFFAOYAH