Pyridin-2-ylcarbamic acid ethyl ester (5255-67-4)

The Pyridin-2-ylcarbamic acid ethyl ester, with the CAS registry number 5255-67-4, is also known as Ethyl pyridin-2-ylcarbamate. This chemical's molecular formula is C₈H₁₀N₂O₂ and molecular weight is 166.18. Its IUPAC name is called ethyl N-pyridin-2-ylcarbamate.

Physical properties of Pyridin-2-ylcarbamic acid ethyl ester: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.02; (6)ACD/BCF (pH 7.4): 3.1; (7)ACD/KOC (pH 5.5): 76.13; (8)ACD/KOC (pH 7.4): 78.26; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 44.99 cm³; (14)Molar Volume: 138.6 cm³; (15)Surface Tension: 47.8 dyne/cm; (16)Density: 1.198 g/cm³; (17)Flash Point: 92 °C; (18)Enthalpy of Vaporization: 46.51 kJ/mol; (19)Boiling Point: 228.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0731 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)NC1=CC=CC=N1
(2)InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-5-3-4-6-9-7/h3-6H,2H2,1H3,(H,9,10,11)
(3)InChIKey: QRKMGCXMJZJTGC-UHFFFAOYSA-N