5-chloro-2-methylpyrimidin-4-ol

• ChemBase ID: 310059
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: n1c(c(cnc1C)Cl)O
• Canonical SMILES: Cc1ncc(c(n1)O)Cl
• InChI: InChI=1S/C5H5ClN2O/c1-3-7-2-4(6)5(9)8-3/h2H,1H3,(H,7,8,9)
• InChIKey: GHJOKLMPIJLWBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methylpyrimidin-4-ol
• IUPAC Traditional name: 5-chloro-2-methylpyrimidin-4-ol
• Synonyms: 5-chloro-2-methyl-4-pyrimidinol

Database IDs

• CAS Number: 26732-04-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.465826
• LogD (pH = 7.4): 1.4656395
• Log P: 1.4658355
• Molar Refractivity: 34.4459 cm^3
• Polarizability: 12.919103 Å^3
• Polar Surface Area: 46.01 Å^2