3-(pyrrolidin-3-yl)pyridine

• ChemBase ID: 50278
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: N1CC(c2cnccc2)CC1
• Canonical SMILES: C1NCC(C1)c1cccnc1
• InChI: InChI=1S/C9H12N2/c1-2-8(6-10-4-1)9-3-5-11-7-9/h1-2,4,6,9,11H,3,5,7H2
• InChIKey: JNZDYUPZUHCHFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-3-yl)pyridine
• IUPAC Traditional name: 3-(pyrrolidin-3-yl)pyridine
• Synonyms: 3-(3-Pyrrolidinyl)pyridine dihydrochloride; 3-(Pyridin-3-yl)pyrrolidine; 3-(Pyrrolidin-3-yl)pyridine

Database IDs

• CAS Number: 498548-11-1; 150281-46-2
• MDL Number: MFCD01862540; MFCD02089474
• PubChem SID: 162055041
• PubChem CID: 3613651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7484362
• LogD (pH = 7.4): -2.5205472
• Log P: 0.49402335
• Molar Refractivity: 44.6441 cm^3
• Polarizability: 17.526463 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%