6-Chloromethyl-2-cyanopyridine

The 6-Chloromethyl-2-cyanopyridine, with the CAS registry number 135450-23-6, is also known as 2-Pyridinecarbonitrile, 6-(chloromethyl)-. This chemical's molecular formula is C₇H₅ClN₂ and molecular weight is 152.58. What's more, its systematic name is 6-(chloromethyl)pyridine-2-carbonitrile.

Physical properties of 6-Chloromethyl-2-cyanopyridine are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.31; (6)ACD/BCF (pH 7.4): 2.31; (7)ACD/KOC (pH 5.5): 63.31; (8)ACD/KOC (pH 7.4): 63.31; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 38.577 cm³; (15)Molar Volume: 120.693 cm³; (16)Polarizability: 15.293×10^-24cm³; (17)Surface Tension: 53.09 dyne/cm; (18)Density: 1.264 g/cm³; (19)Flash Point: 123.603 °C; (20)Enthalpy of Vaporization: 51.953 kJ/mol; (21)Boiling Point: 280.766 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

Preparation of 6-Chloromethyl-2-cyanopyridine: this chemical can be prepared by 6-hydroxymethyl-pyridine-2-carboxylic acid amide at the temperature of 0 - 5 °C. This reaction will need reagent POCl₃ and solvent dimethylformamide with the reaction time of 6 hours. The yield is about 88%.

Uses of 6-Chloromethyl-2-cyanopyridine: it can be used to produce 6-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-pyridine-2-carbonitrile at the ambient temperature. It will need solvent dimethylformamide with the reaction time of 4 hours. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nc(C#N)ccc1
(2)Std. InChI: InChI=1S/C7H5ClN2/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4H2
(3)Std. InChIKey: NZOOXGNGNZWVQR-UHFFFAOYSA-N