2,3-bis(pyridin-2-yl)pyrazine

• ChemBase ID: 150900
• Molecular Formular: C14H10N4
• Molecular Mass: 234.256
• Monoisotopic Mass: 234.09054634
• SMILES: c1ccnc(c1)c1c(nccn1)c1ccccn1
• Canonical SMILES: c1ccc(nc1)c1nccnc1c1ccccn1
• InChI: InChI=1S/C14H10N4/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12/h1-10H
• InChIKey: WTZDTUCKEBDJIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(pyridin-2-yl)pyrazine
• IUPAC Traditional name: 2,3-bis(pyridin-2-yl)pyrazine
• Synonyms: 2,3-Di-2-pyridylpyrazine; 2,3-Bis(2-pyridyl)pyrazine; 2,3-二-2-吡啶基吡嗪; 2,3-双(2-吡啶基)吡嗪

Database IDs

• CAS Number: 25005-96-3
• MDL Number: MFCD00010434
• PubChem SID: 162245060; 24856986
• PubChem CID: 719680

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9397644
• LogD (pH = 7.4): 1.9404
• Log P: 1.9404081
• Molar Refractivity: 66.2148 cm^3
• Polarizability: 28.777445 Å^3
• Polar Surface Area: 51.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168-170 °C(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: 98%
• Empirical Formula (Hill Notation): C14H10N4

DETAILS

Sigma Aldrich - 281646

Packaging
1, 5 g in glass bottle
Application
A building block for supermolecular molecules.1