Cyclobutanecarboxamide,N-(6-bromo-3-pyridinyl)- (885267-03-8)

The 2-Bromo-5-(cyclobutanoylamino)pyridine, with the CAS registry number 885267-03-8, has the systematic name of N-(6-bromopyridin-3-yl)cyclobutanecarboxamide. And the molecular formula of the chemical is C₁₀H₁₁BrN₂O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.41; (6)ACD/BCF (pH 7.4): 41.41; (7)ACD/KOC (pH 5.5): 500.17; (8)ACD/KOC (pH 7.4): 500.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.99 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 57.98 cm³; (15)Molar Volume: 158.9 cm³; (16)Polarizability: 22.98×10^-24cm³; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 1.604 g/cm³; (19)Flash Point: 212 °C; (20)Enthalpy of Vaporization: 68.17 kJ/mol; (21)Boiling Point: 426.9 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2ccc(NC(=O)C1CCC1)cn2
(2)InChI: InChI=1/C10H11BrN2O/c11-9-5-4-8(6-12-9)13-10(14)7-2-1-3-7/h4-7H,1-3H2,(H,13,14)
(3)InChIKey: KFXKOPHDHCVVJE-UHFFFAOYAE