Benzaldehyde,2-(4-pyridinyl)- (176526-00-4)

The 2-(4-Pyridyl)benzaldehyde, with the CAS registry number 176526-00-4, has the systematic name of 2-(pyridin-4-yl)benzaldehyde. It belongs to the category of Heterocycles, Heterocyclic Compound and Benzaldehyde. What's more, it is harmful, so you should be cautious while dealing with it.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 9.99; (6)ACD/BCF (pH 7.4): 11.78; (7)ACD/KOC (pH 5.5): 172.37; (8)ACD/KOC (pH 7.4): 203.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 55.68 cm³; (15)Molar Volume: 159.6 cm³; (16)Polarizability: 22.07×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.147 g/cm³; (19)Flash Point: 169.1°C; (20)Enthalpy of Vaporization: 58.66 kJ/mol; (21)Boiling Point: 342.8°C at 760 mmHg; (22)Vapour Pressure: 7.35E-05 mmHg at 25°C.
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccccc1c2ccncc2
(2)InChI: InChI=1/C12H9NO/c14-9-11-3-1-2-4-12(11)10-5-7-13-8-6-10/h1-9H
(3)InChIKey: HPSCYFZOYJSYGZ-UHFFFAOYAN