3-phenylpyrazin-2-ol

• ChemBase ID: 291768
• Molecular Formular: C10H8N2O
• Molecular Mass: 172.18332
• Monoisotopic Mass: 172.06366289
• SMILES: Oc1c(nccn1)c1ccccc1
• Canonical SMILES: Oc1nccnc1c1ccccc1
• InChI: InChI=1S/C10H8N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
• InChIKey: SYPKOIOSVWYKHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylpyrazin-2-ol
• IUPAC Traditional name: 3-phenylpyrazin-2-ol
• Synonyms: 3-Phenylpyrazin-2-ol

Database IDs

• CAS Number: 73200-73-4
• MDL Number: MFCD12828231
• PubChem SID: 180677299
• PubChem CID: 155966

CALCULATED PROPERTIES

• Acid pKa: 11.096509
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8618606
• LogD (pH = 7.4): 1.8617826
• Log P: 1.8618689
• Molar Refractivity: 48.8028 cm^3
• Polarizability: 20.125275 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%