3-Pyridinecarbonitrile,2-amino-4-methyl- (71493-76-0)

The 2-Amino-3-cyano-4-methylpyridine, with the cas registry number of 71493-76-0, is also known as 2-Amino-4-methylnicotinonitrile and 3-Pyridinecarbonitrile, 2-amino-4-methyl-. It belongs to the product categories of Pyridine. This chemical's molecular formula is C₇H₇N₃ and formula weight is 133.15. What's more, its systematic name is called 2-Amino-4-methylpyridine-3-carbonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 249; (8)ACD/KOC (pH 7.4): 252; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 62.7 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 37.359 cm³; (15)Molar Volume: 112.465 cm³; (16)Surface Tension: 61.383 dyne/cm; (17)Density: 1.184 g/cm³; (18)Flash Point: 139.069 °C; (19)Enthalpy of Vaporization: 54.685 kJ/mol; (20)Boiling Point: 306.338 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(ccnc1N)C;
(2)InChI: InChI=1/C7H7N3/c1-5-2-3-10-7(9)6(5)4-8/h2-3H,1H3,(H2,9,10);
(3)InChIKey: CHFXOUQUTBGLJY-UHFFFAOYAY;
(4)Std. InChI: InChI=1S/C7H7N3/c1-5-2-3-10-7(9)6(5)4-8/h2-3H,1H3,(H2,9,10);
(5)Std. InChIKey: CHFXOUQUTBGLJY-UHFFFAOYSA-N.