(3-amino-5,6-dichloropyrazin-2-yl)methanol

• ChemBase ID: 289820
• Molecular Formular: C5H5Cl2N3O
• Molecular Mass: 194.0187
• Monoisotopic Mass: 192.98096716
• SMILES: OCc1nc(Cl)c(Cl)nc1N
• Canonical SMILES: OCc1nc(Cl)c(nc1N)Cl
• InChI: InChI=1S/C5H5Cl2N3O/c6-3-4(7)10-5(8)2(1-11)9-3/h11H,1H2,(H2,8,10)
• InChIKey: YEAWRINAFYJGND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-5,6-dichloropyrazin-2-yl)methanol
• IUPAC Traditional name: (3-amino-5,6-dichloropyrazin-2-yl)methanol
• Synonyms: (3-Amino-5,6-dichloropyrazin-2-yl)methanol

Database IDs

• CAS Number: 95037-20-0
• MDL Number: MFCD20696803
• PubChem SID: 180675351
• PubChem CID: 13367870

CALCULATED PROPERTIES

• Acid pKa: 13.862081
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.26599833
• LogD (pH = 7.4): 0.2659982
• Log P: 0.26599836
• Molar Refractivity: 44.784 cm^3
• Polarizability: 16.258606 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%