2-amino-5-bromopyridin-3-ol

• ChemBase ID: 66834
• Molecular Formular: C5H5BrN2O
• Molecular Mass: 189.01
• Monoisotopic Mass: 187.95852479
• SMILES: c1(c(cc(cn1)Br)O)N
• Canonical SMILES: Brc1cnc(c(c1)O)N
• InChI: InChI=1S/C5H5BrN2O/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8)
• InChIKey: YQADLKDQAXAIKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-bromopyridin-3-ol
• IUPAC Traditional name: 2-amino-5-bromopyridin-3-ol
• Synonyms: 2-Amino-5-bromo-3-pyridinol; 2-AMino-5-broMopyridin-3-ol

Database IDs

• CAS Number: 39903-01-0
• MDL Number: MFCD09744143
• PubChem SID: 162032570
• PubChem CID: 11694041

CALCULATED PROPERTIES

• Acid pKa: 8.898975
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8267674
• LogD (pH = 7.4): 0.9704976
• Log P: 0.98629224
• Molar Refractivity: 38.5187 cm^3
• Polarizability: 14.178414 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%