3-Cyano-4-methylpyridine

The 3-Cyano-4-methylpyridine, with the CAS registry number 5444-01-9, is also known as 4-Methylnicotinonitrile. It belongs to the product categories of Pyridines;Pyridine;Pyridines Derivates. This chemical's molecular formula is C₇H₆N2 and molecular weight is 118.14. What's more, its IUPAC name is called 4-Methylpyridine-3-carbonitrile. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 3-Cyano-4-methylpyridine are: (1)ACD/LogP: 1.145; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.36; (6)ACD/BCF (pH 7.4): 4.37; (7)ACD/KOC (pH 5.5): 99.86; (8)ACD/KOC (pH 7.4): 99.95; (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: 33.742 cm³; (15)Molar Volume: 108.995 cm3; (16)Polarizability: 13.376×10^-24cm³; (17)Surface Tension: 47.969 dyne/cm; (18)Density: 1.084 g/cm³; (19)Flash Point: 92.223 °C; (20)Enthalpy of Vaporization: 46.839 kJ/mol; (21)Boiling Point: 231.723 °C at 760 mmHg; (22)Vapour Pressure: 0.0610 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin, eyes and respiratory system or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccncc1C#N
(2) InChI: InChI=1S/C7H6N2/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,1H3
(3) InChIKey: XLAPHZHNODDMDD-UHFFFAOYSA-N