Ethyl 1H-pyrrolo[3,2-c]pyridine-2-carboxylate (800401-64-3)

The Ethyl 1H-pyrrolo[3,2-c]pyridine-2-carboxylate, with the cas registry number 800401-64-3, is also called 1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, ethyl ester. And the molecular formula of the chemical is C₁₀H₁₀N₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 1.541; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.874; (7)ACD/KOC (pH 5.5): 5.351; (8)ACD/KOC (pH 7.4): 134.841; (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: 1.628; (14)Molar Refractivity: 53.026 cm³; (15)Molar Volume: 149.495 cm³; (16)Polarizability: 21.021×10^-24cm³; (17)Surface Tension: 56.296 dyne/cm; (18)Density: 1.272 g/cm³; (19)Flash Point: 178.675 °C; (20)Enthalpy of Vaporization: 61.889 kJ/mol; (21)Boiling Point: 371.827 °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)c1cc2cnccc2[nH]1
(2)InChI: InChI=1/C10H10N2O2/c1-2-14-10(13)9-5-7-6-11-4-3-8(7)12-9/h3-6,12H,2H2,1H3
(3)InChIKey: AMDUQHCPGUSRQS-UHFFFAOYAX