1-(2-chloropyrimidin-4-yl)pyrrolidin-3-ol

• ChemBase ID: 309130
• Molecular Formular: C8H10ClN3O
• Molecular Mass: 199.6375
• Monoisotopic Mass: 199.05123964
• SMILES: n1c(N2CC(CC2)O)ccnc1Cl
• Canonical SMILES: OC1CCN(C1)c1ccnc(n1)Cl
• InChI: InChI=1S/C8H10ClN3O/c9-8-10-3-1-7(11-8)12-4-2-6(13)5-12/h1,3,6,13H,2,4-5H2
• InChIKey: DLZHVZSXNBBQKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloropyrimidin-4-yl)pyrrolidin-3-ol
• IUPAC Traditional name: 1-(2-chloropyrimidin-4-yl)pyrrolidin-3-ol
• Synonyms: 1-(2-chloropyrimidin-4-yl)pyrrolidin-3-ol

Database IDs

• CAS Number: 954228-36-5
• MDL Number: MFCD09750099

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.91841906
• LogD (pH = 7.4): 0.9188811
• Log P: 0.918887
• Molar Refractivity: 51.8219 cm^3
• Polarizability: 19.000992 Å^3
• Polar Surface Area: 49.25 Å^2