tetrakis(pyridin-2-yl)pyrazine

• ChemBase ID: 146586
• Molecular Formular: C24H16N6
• Molecular Mass: 388.42404
• Monoisotopic Mass: 388.14364454
• SMILES: c1ccnc(c1)c1c(nc(c(n1)c1ccccn1)c1ccccn1)c1ccccn1
• Canonical SMILES: c1ccc(nc1)c1nc(c2ccccn2)c(nc1c1ccccn1)c1ccccn1
• InChI: InChI=1S/C24H16N6/c1-5-13-25-17(9-1)21-22(18-10-2-6-14-26-18)30-24(20-12-4-8-16-28-20)23(29-21)19-11-3-7-15-27-19/h1-16H
• InChIKey: UOJZYBFRNITHCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(pyridin-2-yl)pyrazine
• IUPAC Traditional name: tetrakis(pyridin-2-yl)pyrazine
• Synonyms: Tetra-2-pyridinylpyrazine; 四-2-吡啶基吡嗪

Database IDs

• CAS Number: 25005-97-4
• MDL Number: MFCD00014608
• PubChem SID: 162240780; 24872981
• PubChem CID: 3034360

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.3416543
• LogD (pH = 7.4): 4.3428993
• Log P: 4.3429155
• Molar Refractivity: 110.6854 cm^3
• Polarizability: 49.08488 Å^3
• Polar Surface Area: 77.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 292-294 °C(lit.)

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

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C24H16N6

DETAILS

Sigma Aldrich - 495557

Packaging
1, 5 g in glass bottle