2-(pyrrolidin-2-yl)pyridine

• ChemBase ID: 32921
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c1(C2NCCC2)ccccn1
• Canonical SMILES: C1CNC(C1)c1ccccn1
• InChI: InChI=1S/C9H12N2/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-2,4,6,9,11H,3,5,7H2
• InChIKey: NDCZQFDBSPOUDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 2-(pyrrolidin-2-yl)pyridine
• Synonyms: alpha-Nornicotine; 2-(2-Pyridyl)pyrrolidine; 2-(2-Pyrrolidinyl)pyridine; 2-Pyrrolidin-2-ylpyridine; 2-(Pyridin-2-yl)pyrrolidine; 2-(Pyrrolidin-2-yl)pyridine; 2-吡咯烷基吡啶

Database IDs

• CAS Number: 77790-61-5; 22083-78-9
• MDL Number: MFCD01691538
• PubChem SID: 160996228
• PubChem CID: 2771659

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.149065
• LogD (pH = 7.4): -1.0010976
• Log P: 1.0131478
• Molar Refractivity: 43.9132 cm^3
• Polarizability: 17.60422 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82°C/0.8mm
• Hydrophobicity(logP): 0.437

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Store under Argon/Keep Cold
• RTECS: UT7650000
• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 96%; 98%