2-(pyridine-2-carbonyl)pyridine

• ChemBase ID: 112507
• Molecular Formular: C11H8N2O
• Molecular Mass: 184.19402
• Monoisotopic Mass: 184.06366289
• SMILES: O=C(c1ccccn1)c1ccccn1
• Canonical SMILES: O=C(c1ccccn1)c1ccccn1
• InChI: InChI=1S/C11H8N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8H
• InChIKey: QPOWUYJWCJRLEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridine-2-carbonyl)pyridine
• IUPAC Traditional name: 2-(pyridine-2-carbonyl)pyridine
• Synonyms: DI-2-PYRIDYL KETONE; 2,2′-Carbonyldipyridine; 2,2′-Dipyridyl ketone; Di(2-pyridyl) ketone; 2,2′-二吡啶基甲酮; 双(2-吡啶基)甲酮; 2-二吡啶基酮

Database IDs

• CAS Number: 19437-26-4
• EC Number: 243-067-3
• MDL Number: MFCD00006288
• Beilstein Number: 126598
• PubChem SID: 24847770; 162097383
• PubChem CID: 88065

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.768619
• LogD (pH = 7.4): 1.7689505
• Log P: 1.7689546
• Molar Refractivity: 51.5757 cm^3
• Polarizability: 20.188898 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52-55 °C; 52-55 °C(lit.); 53°C
• Flash Point: 110 °C; 230 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

Pharmacology Properties

• Gene Information: human ... EPHX2(2053)mouse ... Ephx2(13850)

Product Information

• Purity: ≥97.0% (NT); 97%; 98%; 99%
• Grade: technical
• Empirical Formula (Hill Notation): C11H8N2O

DETAILS

MP Biomedicals - 05224463

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 127221

Packaging
5, 25 g in glass bottle