2-amino-6-bromopyridin-3-ol

• ChemBase ID: 235889
• Molecular Formular: C5H5BrN2O
• Molecular Mass: 189.01
• Monoisotopic Mass: 187.95852479
• SMILES: n1c(c(ccc1Br)O)N
• Canonical SMILES: Brc1ccc(c(n1)N)O
• InChI: InChI=1S/C5H5BrN2O/c6-4-2-1-3(9)5(7)8-4/h1-2,9H,(H2,7,8)
• InChIKey: JSRWVRYNUHTJOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-bromopyridin-3-ol
• IUPAC Traditional name: 2-amino-6-bromopyridin-3-ol
• Synonyms: 2-amino-6-bromopyridin-3-ol

Database IDs

• CAS Number: 934758-27-7
• MDL Number: MFCD11110242
• PubChem SID: 164291799
• PubChem CID: 55264984

CALCULATED PROPERTIES

• Acid pKa: 9.132323
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1885315
• LogD (pH = 7.4): 1.1839349
• Log P: 1.1918143
• Molar Refractivity: 39.3609 cm^3
• Polarizability: 14.224768 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): 1.979

Product Information

• Purity: 95%; 95+%; 98%