3-Pyridinecarboxamide,2-chloro-4,6-dimethyl- (140413-44-1)

The 2-Chloro-4,6-dimethylnicotinamide, with the CAS registry number 140413-44-1, has the systematic name and IUPAC name of 2-chloro-4,6-dimethylpyridine-3-carboxamide. It is a kind of organics, and should be stored at dry and cool environment. The molecular formula of the chemical is C₈H₉ClN₂O.

The characteristics of 2-Chloro-4,6-dimethylnicotinamide are as followings: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.87; (6)ACD/BCF (pH 7.4): 3.87; (7)ACD/KOC (pH 5.5): 91.76; (8)ACD/KOC (pH 7.4): 91.77; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 47.81 cm³; (15)Molar Volume: 145.8 cm³; (16)Polarizability: 18.95×10^-24cm³; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.265 g/cm³; (19)Flash Point: 117.5 °C; (20)Enthalpy of Vaporization: 50.89 kJ/mol; (21)Boiling Point: 270.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00672 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1c(cc(nc1Cl)C)C)N
(2)InChI: InChI=1/C8H9ClN2O/c1-4-3-5(2)11-7(9)6(4)8(10)12/h3H,1-2H3,(H2,10,12)
(3)InChIKey: NNBAGQPBTCYTKF-UHFFFAOYAX