(5-methylpyrazin-2-yl)methanol

• ChemBase ID: 67097
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(cnc(cn1)C)CO
• Canonical SMILES: Cc1cnc(cn1)CO
• InChI: InChI=1S/C6H8N2O/c1-5-2-8-6(4-9)3-7-5/h2-3,9H,4H2,1H3
• InChIKey: QYANNJBVADZUDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methylpyrazin-2-yl)methanol
• IUPAC Traditional name: (5-methylpyrazin-2-yl)methanol
• Synonyms: (5-methylpyrazin-2-yl)methanol; 5-Methyl-2-pyrazinemethanol; (5-methyl-2-pyrazinyl)methanol

Database IDs

• CAS Number: 61892-95-3
• MDL Number: MFCD11044903
• PubChem SID: 162032833
• PubChem CID: 580061

CALCULATED PROPERTIES

• Acid pKa: 13.978215
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0166204
• LogD (pH = 7.4): -1.016607
• Log P: -1.0166067
• Molar Refractivity: 32.6294 cm^3
• Polarizability: 12.768298 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.851

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%