4(3H)-Pyrimidinone,5-chloro-6-ethyl- (130129-58-7)

The 5-Chloro-6-ethylpyrimidin-4-ol, with the CAS registry number 130129-58-7, is also known as 5-Chloro-6-ethyl-4-hydroxypyrimidine and 5-Chloro-6-ethyl-4(1H)-pyrimidinone. This chemical's molecular formula is C₆H₇ClN₂O and molecular weight is 158.59. What's more, its systematic name is called 5-Chloro-6-ethylpyrimidin-4(1H)-one.

Physical properties about 5-Chloro-6-ethylpyrimidin-4-ol are: (1) ACD/LogP: 0.22; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0; (4) ACD/LogD (pH 7.4): 0; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 22; (8) ACD/KOC (pH 7.4): 14; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 41.46 Å²; (13) Index of Refraction: 1.59; (14) Molar Refractivity: 39.019 cm³; (15) Molar Volume: 115.584 cm³; (16) Surface Tension: 44.022 dyne/cm; (17) Density: 1.372 g/cm³; (18) Flash Point: 89.314 °C; (19) Enthalpy of Vaporization: 46.056 kJ/mol; (20) Boiling Point: 224.069 °C at 760 mmHg; (21) Vapour Pressure: 0.093 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl\C1=C(\N\C=N/C1=O)CC
(2) InChI: InChI=1/C6H7ClN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10)
(3) InChIKey: WCXWRFSKLBACLE-UHFFFAOYAP