6-methylpyrazin-2-ol

• ChemBase ID: 67564
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(cncc(n1)C)O
• Canonical SMILES: Cc1cncc(n1)O
• InChI: InChI=1S/C5H6N2O/c1-4-2-6-3-5(8)7-4/h2-3H,1H3,(H,7,8)
• InChIKey: KXUOIHWSSNTEPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyrazin-2-ol
• IUPAC Traditional name: 6-methylpyrazin-2-ol
• Synonyms: 2-Hydroxy-6-methylpyrazine; 6-Methylpyrazin-2-ol

Database IDs

• CAS Number: 20721-18-0
• PubChem SID: 162033299
• PubChem CID: 285725

CALCULATED PROPERTIES

• Acid pKa: 11.125361
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.039845962
• LogD (pH = 7.4): -0.0399174
• Log P: -0.03983666
• Molar Refractivity: 28.6301 cm^3
• Polarizability: 10.931499 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%