2-chloro-5-fluoropyrimidin-4-ol

• ChemBase ID: 306999
• Molecular Formular: C4H2ClFN2O
• Molecular Mass: 148.5228832
• Monoisotopic Mass: 147.98396859
• SMILES: n1c(c(cnc1Cl)F)O
• Canonical SMILES: Clc1ncc(c(n1)O)F
• InChI: InChI=1S/C4H2ClFN2O/c5-4-7-1-2(6)3(9)8-4/h1H,(H,7,8,9)
• InChIKey: FHTLMXYURUPWJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluoropyrimidin-4-ol
• IUPAC Traditional name: 2-chloro-5-fluoropyrimidin-4-ol
• Synonyms: 2-chloro-5-fluoropyrimidin-4-ol

Database IDs

• CAS Number: 155-12-4
• MDL Number: MFCD00042209

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3918749
• LogD (pH = 7.4): 1.391478
• Log P: 1.3918799
• Molar Refractivity: 30.7317 cm^3
• Polarizability: 11.1202755 Å^3
• Polar Surface Area: 46.01 Å^2