3-[(2R)-pyrrolidin-2-yl]pyridine

• ChemBase ID: 804625
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: n1cc(ccc1)[C@@H]1NCCC1
• Canonical SMILES: C1CN[C@H](C1)c1cccnc1
• InChI: InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m1/s1
• InChIKey: MYKUKUCHPMASKF-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2R)-pyrrolidin-2-yl]pyridine
• IUPAC Traditional name: (+)-nornicotine
• Synonyms: (R)-3-(PYRROLIDIN-2-YL)PYRIDINE

Database IDs

• CAS Number: 7076-23-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4496567
• LogD (pH = 7.4): -1.8956487
• Log P: 0.7794868
• Molar Refractivity: 44.3603 cm^3
• Polarizability: 17.60328 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%