2-Pyrimidinecarbonitrile,5-hydroxy- (345642-86-6)

The 5-Hydroxy-2-pyrimidinecarbonitrile, with cas registry number of 345642-86-6, has the systematic name of 2-pyrimidinecarbonitrile, 5-hydroxy-. And it belongs to the category of Pyrimidine. C₅H₃N₃O is the chemical's molecular formula.

The characteristics of this chemical are as followings: (1) # of Rule of 5 Violations:0; (2)ACD/BCF (pH 5.5):1 ; (3)ACD/BCF (pH 7.4):1; (4)ACD/KOC (pH 5.5):1; (5)ACD/KOC (pH 7.4):1; (6)#H bond acceptors:4; (7)#H bond donors:1; (8)#Freely Rotating Bonds:1; (9)Polar Surface Area:69.8 Ų; (10)Index of Refraction:1.601 ; (11) Molar Refractivity:28.44 cm³; (12)Molar Volume:83 cm³; (13)Polarizability:11.27×10^-24cm³; (14)Surface Tension:95.2 dyne/cm; (15)Density:1.45 g/cm³; (16)Flash Point:170 °C ; (17)Enthalpy of Vaporization:62.66 kJ/mol; (18)Boiling Point:357.5 °C at 760 mmHg; (19)Vapour Pressure:1.32E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(cnc(n1)C#N)O
(2)InChI: InChI=1/C5H3N3O/c6-1-5-7-2-4(9)3-8-5/h2-3,9H
(3)InChIKey: UFZDLOQYHSUCOS-UHFFFAOYAC