5-Pyrimidinecarboxaldehyde,2-phenyl- (130161-46-5)

The 2-Phenylpyrimidine-5-carboxaldehyde, with CAS registry number 130161-46-5, has the systematic name of 2-phenylpyrimidine-5-carbaldehyde. And its IUPAC name is the same one. Besides this, it is also called 5-pyrimidinecarboxaldehyde, 2-phenyl-. And the chemical formula of this chemical is C₁₁H₈N₂O.

Physical properties of 2-Phenylpyrimidine-5-carboxaldehyde: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.85 Å²; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 53.78 cm³; (9)Molar Volume: 152.8 cm³; (10)Polarizability: 21.32×10^-24cm³; (11)Surface Tension: 53.8 dyne/cm; (12)Enthalpy of Vaporization: 48.11 kJ/mol; (13)Vapour Pressure: 0.0311 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cnc(nc1)c2ccccc2
(2)InChI: InChI=1/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
(3)InChIKey: AUTGLFSBJLERMV-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
(5)Std. InChIKey: AUTGLFSBJLERMV-UHFFFAOYSA-N