2-Pyridinecarboxylicacid, 1,6-dihydro-3-methyl-6-oxo- (115185-81-4)

The 6-Hydroxy-3-methylpyridine-2-carboxylic acid, with the cas registry number 115185-81-4, has the systematic name of 3-methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid. It belongs to the product categories of Carboxylicacid and Glycinescaffold. And the molecular formula of the chemical is C₇H₇NO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.4 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 36.552 cm³; (15)Molar Volume: 113.798 cm³; (16)Polarizability: 14.49×10^-24cm³; (17)Surface Tension: 51.004 dyne/cm; (18)Density: 1.346 g/cm³; (19)Flash Point: 201.978 °C; (20)Enthalpy of Vaporization: 72.706 kJ/mol; (21)Boiling Point: 410.358 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC=1/C=C\C(=O)NC=1C(O)=O
(2)InChI: InChI=1/C7H7NO3/c1-4-2-3-5(9)8-6(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
(3)InChIKey: WDZFYBWSAROMOO-UHFFFAOYAY