2-[2-(pyridin-2-yl)ethenyl]pyridine

• ChemBase ID: 140065
• Molecular Formular: C12H10N2
• Molecular Mass: 182.2212
• Monoisotopic Mass: 182.08439833
• SMILES: c1ccnc(c1)/C=C/c1ccccn1
• Canonical SMILES: c1ccc(nc1)/C=C/c1ccccn1
• InChI: InChI=1S/C12H10N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-10H
• InChIKey: HKEOCEQLCZEBMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(pyridin-2-yl)ethenyl]pyridine
• IUPAC Traditional name: 2-[2-(pyridin-2-yl)ethenyl]pyridine
• Synonyms: 2,2′-Vinylenedipyridine; 1,2-Bis(2-pyridyl)ethylene; 1,2-双吡啶基乙烯; 1,2-双(2-吡啶基)乙烯

Database IDs

• CAS Number: 1437-15-6
• EC Number: 215-866-7
• MDL Number: MFCD00006356
• PubChem SID: 24891828; 162234309
• PubChem CID: 5374802

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.246546
• LogD (pH = 7.4): 2.3437278
• Log P: 2.3450642
• Molar Refractivity: 56.3048 cm^3
• Polarizability: 21.758858 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-119 °C(lit.)
• Boiling Point: 150-160 °C/2 mmHg(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H10N2

DETAILS

Sigma Aldrich - B52603

Packaging
2.5 g in glass bottle