2-Pyridinecarboxylicacid, 6-(aminomethyl)-, methyl ester (160939-10-6)

The 6-Aminomethyl-2-pyridinecarboxylic acid, with the CAS registry number 160939-10-6, is also known as 2-Pyridinecarboxylicacid, 6-(aminomethyl)-, methyl ester. It belongs to the product categories of Glycinescaffold and Pyridine series. This chemical's molecular formula is C₇H₈N₂O₂ and molecular weight is 152.15. What's more, its systematic name is called 6-(Aminomethyl)pyridine-2-carboxylic acid.

Physical properties about 6-Aminomethyl-2-pyridinecarboxylic acid are: (1) # of Rule of 5 Violations: 0; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 1; (5) ACD/KOC (pH 7.4): 1; (6) #H bond acceptors: 4; (7) #H bond donors: 3; (8) #Freely Rotating Bonds: 3; (9) Polar Surface Area: 76.21 Å²; (10) Index of Refraction: 1.606; (11) Molar Refractivity: 39.72 cm³; (12) Molar Volume: 115.1 cm³; (13) Surface Tension: 66.9 dyne/cm; (14) Density: 1.321 g/cm³; (15) Flash Point: 166.9 °C; (16) Enthalpy of Vaporization: 63.02 kJ/mol; (17) Boiling Point: 352.4 °C at 760 mmHg; (18) Vapour Pressure: 1.42E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCc1cccc(n1)C(O)=O
(2) InChI: InChI=1/C7H8N2O2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,4,8H2,(H,10,11)
(3) InChIKey: KKWKBQBRQWNTPN-UHFFFAOYAE