5-(trifluoromethyl)pyrazin-2-ol

• ChemBase ID: 814334
• Molecular Formular: C5H3F3N2O
• Molecular Mass: 164.0853296
• Monoisotopic Mass: 164.01974739
• SMILES: c1c(ncc(n1)C(F)(F)F)O
• Canonical SMILES: FC(c1ncc(nc1)O)(F)F
• InChI: InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-10-4(11)2-9-3/h1-2H,(H,10,11)
• InChIKey: FZBNWYMJWPBFAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(trifluoromethyl)pyrazin-2-ol
• IUPAC Traditional name: 5-(trifluoromethyl)pyrazin-2-ol
• Synonyms: 5-(trifluoromethyl)pyrazin-2-ol

Database IDs

• CAS Number: 134510-03-5

CALCULATED PROPERTIES

• Acid pKa: 10.282044
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.092485
• LogD (pH = 7.4): 1.0919306
• Log P: 1.092492
• Molar Refractivity: 29.6403 cm^3
• Polarizability: 10.735423 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%