2-methyl-3-[(2S)-pyrrolidin-2-ylmethoxy]pyridine

• ChemBase ID: 125567
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: O(c1c(nccc1)C)C[C@H]1NCCC1
• Canonical SMILES: Cc1ncccc1OC[C@@H]1CCCN1
• InChI: InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1
• InChIKey: YRVIKLBSVVNSHF-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-[(2S)-pyrrolidin-2-ylmethoxy]pyridine
• IUPAC Traditional name: pozanicline
• Synonyms: A-84,543

Database IDs

• PubChem SID: 162219917
• PubChem CID: 178052
• CHEMBL: 127071
• Chemspider ID: 155000
• Wikipedia Title: A-84,543

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7358074
• LogD (pH = 7.4): -2.0256753
• Log P: 0.8304334
• Molar Refractivity: 54.8914 cm^3
• Polarizability: 21.877924 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true