4-Pyridinecarboxaldehyde,5-fluoro-1,2-dihydro-2-oxo- (500148-38-9)

The 5-Fluoro-2-hydroxy-4-pyridinecarboxaldehyde, with cas registry number 500148-38-9, belongs to the following product categories: (1)ALDEHYDE; (2)PYRIDINE. It has the systematic name of 5-fluoro-2-oxo-1,2-dihydropyridine-4-carbaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.57; (8)ACD/KOC (pH 7.4): 5.46; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 31.37 cm³; (15)Molar Volume: 103.1 cm³; (16)Polarizability: 12.43×10^-24cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Enthalpy of Vaporization: 47.48 kJ/mol; (19)Vapour Pressure: 0.0436 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC=1\C(\F)=C/NC(=O)C=1
(2)InChI: InChI=1/C6H4FNO2/c7-5-2-8-6(10)1-4(5)3-9/h1-3H,(H,8,10)
(3)InChIKey: VGMOZPSGFCCDGY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H4FNO2/c7-5-2-8-6(10)1-4(5)3-9/h1-3H,(H,8,10)
(5)Std. InChIKey: VGMOZPSGFCCDGY-UHFFFAOYSA-N