2-(pyrrolidin-3-yl)pyridine

• ChemBase ID: 76105
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: n1c(cccc1)C1CNCC1
• Canonical SMILES: C1NCC(C1)c1ccccn1
• InChI: InChI=1S/C9H12N2/c1-2-5-11-9(3-1)8-4-6-10-7-8/h1-3,5,8,10H,4,6-7H2
• InChIKey: STXABSODTGKUAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-3-yl)pyridine
• IUPAC Traditional name: 2-(pyrrolidin-3-yl)pyridine
• Synonyms: 2-tetrahydro-1H-pyrrol-3-ylpyridine; 3-(Pyridin-2-yl)pyrrolidine; 2-(Pyrrolidin-3-yl)pyridine; 2-PYRROLIDIN-3-YLPYRIDINE

Database IDs

• CAS Number: 150281-45-1
• MDL Number: MFCD01862539
• PubChem SID: 162041020
• PubChem CID: 5013938

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5408986
• LogD (pH = 7.4): -2.2377913
• Log P: 0.70186025
• Molar Refractivity: 44.1692 cm^3
• Polarizability: 17.527224 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: >95%; 98%