4-Pyridinecarboxaldehyde,3-nitro- (153813-70-8)

The 3-Nitropyridine-4-carboxaldehyde, with the CAS registry number 153813-70-8, is also known as 4-Pyridinecarboxaldehyde, 3-nitro-. It belongs to the product categories of Aldehydes; Pyridines. This chemical's molecular formula is C₆H₄N₂O₃ and molecular weight is 152.11. Its systematic name is called 3-nitropyridine-4-carbaldehyde.

Physical properties of 3-Nitropyridine-4-carboxaldehyde: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1.8; (6)ACD/BCF (pH 7.4): 1.8; (7)ACD/KOC (pH 5.5): 53.03; (8)ACD/KOC (pH 7.4): 53.03; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 37.64 cm³; (14)Molar Volume: 106.1 cm³; (15)Surface Tension: 65.4 dyne/cm; (16)Density: 1.432 g/cm³; (17)Flash Point: 141.3 °C; (18)Enthalpy of Vaporization: 55.09 kJ/mol; (19)Boiling Point: 310 °C at 760 mmHg; (20)Vapour Pressure: 0.000615 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(C=O)ccnc1
(2)InChI: InChI=1/C6H4N2O3/c9-4-5-1-2-7-3-6(5)8(10)11/h1-4H
(3)InChIKey: CPHKHQSASVFAHL-UHFFFAOYAC