3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-3-carboxylic acid (876718-04-6)

The 3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-3-carboxylic acid with the CAS number 876718-04-6 is also called TIMTEC-BB SBB011141. The systematic name is 1-pyridin-2-ylpiperidine-3-carboxylic acid. Its molecular formula is C₁₁H₁₄N₂O₂. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the 3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-3-carboxylic acid are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.58; (4)ACD/LogD (pH 7.4): -1.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 55.26 cm³; (15)Molar Volume: 167.1 cm³; (16)Polarizability: 21.9×10^-24cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Enthalpy of Vaporization: 69.57 kJ/mol; (19)Vapour Pressure: 2.2×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2CN(c1ncccc1)CCC2
(2)InChI: InChI=1/C11H14N2O2/c14-11(15)9-4-3-7-13(8-9)10-5-1-2-6-12-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
(3)InChIKey: QZQCXIGVFAOJNE-UHFFFAOYAX