3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo- (27074-03-9)

The 1,4-Dimethyl-3-cyano-6-hydroxypyrid-2-one, with the cas registry number 27074-03-9, is also known as 1,2-Dihydro-1,4-dimethyl-6-hydroxy-2-oxonicotinonitrile and Nicotinonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-. Its EINECS number is 248-209-8. This chemical's molecular formula is C₈H₈N₂O₂ and formula weight is 164.16. What's more, both its IUPAC name and systematic name are the same which is called 2-Hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 1.67; (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: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 64.33 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 41.649 cm³; (13)Molar Volume: 123.724 cm³; (14)Surface Tension: 58.876 dyne/cm; (15)Density: 1.327 g/cm³; (16)Flash Point: 137.947 °C; (17)Enthalpy of Vaporization: 63.191 kJ/mol; (18)Boiling Point: 304.484 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=O)N(C(=C1C#N)O)C
(2)InChI: InChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,12H,1-2H3
(3)InChIKey: PJKGLFXXEKCAIE-UHFFFAOYSA-N

The toxicity data is as follows: