2-(pyridin-4-yl)pyridine

• ChemBase ID: 287209
• Molecular Formular: C10H8N2
• Molecular Mass: 156.18392
• Monoisotopic Mass: 156.06874827
• SMILES: c1(c2ccncc2)ncccc1
• Canonical SMILES: n1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C10H8N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-8H
• InChIKey: RMHQDKYZXJVCME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-4-yl)pyridine; 4-(pyridin-2-yl)pyridine
• IUPAC Traditional name: (4-pyridyl)-2-pyridine; 4-(pyridin-2-yl)pyridine
• Synonyms: 2,4'-Bipyridyl; 2,4'-Dipyridyl; 2,4'-Bipyridine; 2,4'-Bipyridine; 2,4'-二吡啶

Database IDs

• CAS Number: 581-47-5
• EC Number: 209-467-7
• MDL Number: MFCD00006217
• PubChem SID: 180672740
• PubChem CID: 68488

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5263969
• LogD (pH = 7.4): 1.5703918
• Log P: 1.5709766
• Molar Refractivity: 46.5084 cm^3
• Polarizability: 19.571602 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59-63°C
• Boiling Point: 281°C

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-25
• Safety Statements: 36/37-45
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311
• GHS Precautionary statements: P280-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 97%