9-hydroxy-2,4-dimethyl-5λ5-pyrido[1,2-a]pyrimidin-5-ylium perchlorate

• ChemBase ID: 310584
• Molecular Formular: C10H11ClN2O5
• Molecular Mass: 274.65774
• Monoisotopic Mass: 274.03564914
• SMILES: [n+]12c(nc(cc1C)C)c(O)ccc2.[Cl](=O)(=O)(=O)[O-]
• Canonical SMILES: [O-][Cl](=O)(=O)=O.Cc1cc(C)[n+]2c(n1)c(O)ccc2
• InChI: InChI=1S/C10H10N2O.ClHO4/c1-7-6-8(2)12-5-3-4-9(13)10(12)11-7;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)
• InChIKey: QFLISURJTPOAJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-hydroxy-2,4-dimethyl-5λ^5-pyrido[1,2-a]pyrimidin-5-ylium perchlorate
• IUPAC Traditional name: 9-hydroxy-2,4-dimethyl-5λ^5-pyrido[1,2-a]pyrimidin-5-ylium perchlorate
• Synonyms: 9-hydroxy-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium perchlorate

Database IDs

• CAS Number: 137044-55-4
• MDL Number: MFCD00445851

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.34951276
• LogD (pH = 7.4): 0.57366794
• Log P: -2.1608624
• Molar Refractivity: 51.6928 cm^3
• Polarizability: 19.041174 Å^3
• Polar Surface Area: 37.22 Å^2