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Name |
4(3H)-Pyrimidinone,6-hydroxy-2-(2-pyridinyl)- |
EINECS | N/A |
CAS No. | 10198-74-0 | Density | 1.441 g/cm3 |
PSA | 78.87000 | LogP | 0.53750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7N3O2 | Boiling Point | 319.9 °C at 760 mmHg |
Molecular Weight | 189.173 | Flash Point | 147.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4(1H)-Pyrimidinone,6-hydroxy-2-(2-pyridinyl)- (9CI);4,6-Pyrimidinediol, 2-(2-pyridyl)- (8CI); |
The 4(3H)-Pyrimidinone,6-hydroxy-2-(2-pyridinyl)-, with the CAS registry number 10198-74-0, is also known as 6-Hydroxy-2-(pyridin-2-yl)pyrimidin-4(3H)-one. This chemical's molecular formula is C9H7N3O2 and molecular weight is 189.1708. What's more, its systematic name is called 2-(Pyridin-2-yl)pyrimidine-4,6-diol.
Physical properties about 4(3H)-Pyrimidinone,6-hydroxy-2-(2-pyridinyl)- are: (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: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 79.13 Å2; (10)Index of Refraction: 1.667; (11)Molar Refractivity: 48.88 cm3; (12)Molar Volume: 131.2 cm3; (13)Surface Tension: 80.4 dyne/cm; (14)Density: 1.441 g/cm3; (15)Flash Point: 147.3 °C; (16)Enthalpy of Vaporization: 58.39 kJ/mol; (17)Boiling Point: 319.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000175 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(O)nc(n1)c2ncccc2
(2) InChI: InChI=1/C9H7N3O2/c13-7-5-8(14)12-9(11-7)6-3-1-2-4-10-6/h1-5H,(H2,11,12,13,14)
(3) InChIKey: KYJMYKDNPYLJLR-UHFFFAOYAP