2-(thiophen-2-yl)pyridine

• ChemBase ID: 54344
• Molecular Formular: C9H7NS
• Molecular Mass: 161.22358
• Monoisotopic Mass: 161.02992023
• SMILES: n1ccccc1c1cccs1
• Canonical SMILES: c1ccc(nc1)c1cccs1
• InChI: InChI=1S/C9H7NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-7H
• InChIKey: QLPKTAFPRRIFQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3319-99-1
• EC Number: 222-022-1
• MDL Number: MFCD00044441
• Beilstein Number: 508454
• PubChem SID: 162059107
• PubChem CID: 76832

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5629346
• LogD (pH = 7.4): 2.5657609
• Log P: 2.565797
• Molar Refractivity: 45.5552 cm^3
• Polarizability: 19.07909 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-65°C; 60-65°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%