3-(thiophen-2-yl)pyridine

• ChemBase ID: 302544
• Molecular Formular: C9H7NS
• Molecular Mass: 161.22358
• Monoisotopic Mass: 161.02992023
• SMILES: c1cc(cnc1)c1cccs1
• Canonical SMILES: c1ccc(cn1)c1cccs1
• InChI: InChI=1S/C9H7NS/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7H
• InChIKey: ZHBLIWDUZHFSJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(thiophen-2-yl)pyridine
• IUPAC Traditional name: 3-(thiophen-2-yl)pyridine
• Synonyms: 2-(3-Pyridyl)thiophene; 3-(2-Thienyl)pyridine; 3-(2-噻吩基)吡啶

Database IDs

• CAS Number: 21298-53-3
• EC Number: 000-000-0
• MDL Number: MFCD01860052
• Beilstein Number: 971159

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1479313
• LogD (pH = 7.4): 2.1795251
• Log P: 2.179947
• Molar Refractivity: 45.9272 cm^3
• Polarizability: 19.071682 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95-100°C/1mm
• Refractive Index: 1.6480

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 99%