2-Pyridinecarboxylicacid, 4-hydroxy- (22468-26-4)

The 4-Hydroxypyridine-2-carboxylic acid with cas register number is 22468-26-4 belongs to classes in blocks; Carboxes; Pyridines; pharmacetical. Its IUPAC name is called 4-oxo-1H-pyridine-2-carboxylic acid. This chemical is also known as 4-Hydroxypicolinic acid. Its hazard note is irritant.

Physical properties about this chemical are: (1)ACD/LogP: -1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 31.84 cm³; (12)Molar Volume: 95.8 cm³; (13)Surface Tension: 61 dyne/cm; (14)Density: 1.451 g/cm³; (15)Flash Point: 143.1 °C; (16)Enthalpy of Vaporization: 60.93 kJ/mol; (17)Boiling Point: 313.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000111 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CNC(=CC1=O)C(=O)O;
(2)InChI: InChI=1S/C6H5NO3/c8-4-1-2-7-5(3-4)6(9)10/h1-3H,(H,7,8)(H,9,10);
(3)InChIKey: MXXLHBCSVDDTIX-UHFFFAOYSA-N