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4(3H)-Pyrimidinone,6-hydroxy-2-(2-pyridinyl)-

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  • Name 4(3H)-Pyrimidinone,6-hydroxy-2-(2-pyridinyl)-
  • EINECSN/A
  • CAS No. 10198-74-0
  • Density1.441 g/cm3
  • PSA78.87000
  • LogP0.53750
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H7N3O2
  • Boiling Point319.9 °C at 760 mmHg
  • Molecular Weight189.173
  • Flash Point147.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 10198-74-0 (6-Hydroxy-2-(pyridin-2-yl)pyrimidin-4(3H)-one)
  • Hazard SymbolsN/A
  • SynonymsN/A

4(3H)-Pyrimidinone,6-hydroxy-2-(2-pyridinyl)- Specification

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

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