(2-amino-5-bromopyridin-3-yl)methanol hydrobromide

• ChemBase ID: 67051
• Molecular Formular: C6H8Br2N2O
• Molecular Mass: 283.94852
• Monoisotopic Mass: 281.90033689
• SMILES: c1(c(cc(cn1)Br)CO)N.Br
• Canonical SMILES: OCc1cc(Br)cnc1N.Br
• InChI: InChI=1S/C6H7BrN2O.BrH/c7-5-1-4(3-10)6(8)9-2-5;/h1-2,10H,3H2,(H2,8,9);1H
• InChIKey: BZPYQOTWDYNOCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-5-bromopyridin-3-yl)methanol hydrobromide
• IUPAC Traditional name: (2-amino-5-bromopyridin-3-yl)methanol hydrobromide
• Synonyms: 2-Amino-5-bromo-3-(hydroxymethyl)-pyridine hydrobromide; (2-Amino-5-bromopyridin-3-yl)methanol hydrobromide; 2-Amino-5-bromo-3-(hydroxymethyl)pyridine hydrobromide; (2-AMINO-5-BROMOPYRIDIN-3-YL)METHANOL HYDROBROMIDE

Database IDs

• CAS Number: 443956-55-6
• MDL Number: MFCD08272105
• PubChem SID: 162032787
• PubChem CID: 44119611

CALCULATED PROPERTIES

• Log P: 0.52250785
• Molar Refractivity: 43.3537 cm^3
• Polarizability: 15.974589 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.56835
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.46318883
• LogD (pH = 7.4): 0.5217045

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%