Propanamide,N-(6-chloro-2-pyridinyl)-2,2-dimethyl- (86847-84-9)

The N-(6-Chloropyridin-2-yl)-2,2-dimethylpropionamide, with the CAS registry number 86847-84-9, is also known as N-(6-Chloropyridin-2-yl)pivalamide. This chemical's molecular formula is C₁₀H₁₃ClN₂O and molecular weight is 212.68. Its IUPAC name is called N-(6-Chloropyridin-2-yl)-2,2-dimethylpropanamide.

Physical properties about this chemical are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.427; (4)ACD/LogD (pH 7.4): 2.427; (5)ACD/BCF (pH 5.5): 41.195; (6)ACD/BCF (pH 7.4): 41.195; (7)ACD/KOC (pH 5.5): 498.333; (8)ACD/KOC (pH 7.4): 498.337; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 57.375 cm³; (14)Molar Volume: 177.259 cm³; (15)Surface Tension: 43.595 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 180.826 °C; (18)Enthalpy of Vaporization: 62.289 kJ/mol; (19)Boiling Point: 375.384 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C(=O)NC1=NC(=CC=C1)Cl
(2)InChI: InChI=1S/C10H13ClN2O/c1-10(2,3)9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H,12,13,14)
(3)InChIKey: YPWKLBCTOUEZKE-UHFFFAOYSA-N