4-[(2S)-pyrrolidin-2-yl]pyridine

• ChemBase ID: 804626
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: n1ccc(cc1)[C@H]1NCCC1
• Canonical SMILES: C1CN[C@@H](C1)c1ccncc1
• InChI: InChI=1S/C9H12N2/c1-2-9(11-5-1)8-3-6-10-7-4-8/h3-4,6-7,9,11H,1-2,5H2/t9-/m0/s1
• InChIKey: GDGNPIOGJLCICG-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2S)-pyrrolidin-2-yl]pyridine
• IUPAC Traditional name: 4-[(2S)-pyrrolidin-2-yl]pyridine
• Synonyms: 4-((2S)PYRROLIDIN-2-YL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.451971
• LogD (pH = 7.4): -1.9707884
• Log P: 0.7794868
• Molar Refractivity: 44.3603 cm^3
• Polarizability: 17.602995 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%