3-amino-6-bromopyridin-2-ol

• ChemBase ID: 118290
• Molecular Formular: C5H5BrN2O
• Molecular Mass: 189.01
• Monoisotopic Mass: 187.95852479
• SMILES: n1c(c(ccc1Br)N)O
• Canonical SMILES: Brc1ccc(c(n1)O)N
• InChI: InChI=1S/C5H5BrN2O/c6-4-2-1-3(7)5(9)8-4/h1-2H,7H2,(H,8,9)
• InChIKey: LZRLRVOCGGIDBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-6-bromopyridin-2-ol
• IUPAC Traditional name: 3-amino-6-bromopyridin-2-ol
• Synonyms: 3-AMINO-6-BROMO-PYRIDIN-2-OL; 3-amino-6-bromopyridin-2-ol hydrobromide

Database IDs

• CAS Number: 134577-43-8
• MDL Number: MFCD09701347
• PubChem SID: 162102568
• PubChem CID: 15062116

CALCULATED PROPERTIES

• Acid pKa: 11.576103
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1918137
• LogD (pH = 7.4): 1.1917856
• Log P: 1.1918143
• Molar Refractivity: 39.3609 cm^3
• Polarizability: 14.227437 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.3

Product Information

• Purity: 95+%; 98%
• Salt Data: HBr