2-Cyano-4-methylpyridine (1620-76-4)

The 2-Cyano-4-methylpyridine, with the CAS registry number 1620-76-4, has the systematic name of 4-methylpyridine-2-carbonitrile. It belongs to the the product categories of Pyridines and Heterocyclic Compounds. And the molecular formula of the chemical is C₇H₆N₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.22; (6)ACD/BCF (pH 7.4): 3.22; (7)ACD/KOC (pH 5.5): 80.46; (8)ACD/KOC (pH 7.4): 80.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 33.74 cm³; (15)Molar Volume: 108.9 cm³; (16)Polarizability: 13.37×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 99.9 °C; (20)Enthalpy of Vaporization: 49.89 kJ/mol; (21)Boiling Point: 261.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0117 mmHg at 25°C. 

Preparation of 2-Cyano-4-methylpyridine: This chemical can be prepared by 4-methyl-pyridine-1-oxide and trimethyl-silanecarbonitrile. The reaction will need reagent DBU, and the menstruum tetrahydrofuran. The reaction time is 5 hours with heating, and the yield is about 44%.

Uses of 2-Cyano-4-methylpyridine: It can react to produce C₇H₇NO₂^.ClH. This reaction will need reagent 6 NHCl. The reaction time is 24 hours with heating, and the yield is about 93%.

You should be cautious while dealing with this chemical. It irritats to eyes and respiratory system, and is harmful if swallowed, what's more, it has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1nccc(c1)C
(2)InChI: InChI=1/C7H6N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,1H3
(3)InChIKey: LQAWSWUFSHYCHP-UHFFFAOYAC