(3-amino-6-bromopyridin-2-yl)methanol

• ChemBase ID: 71198
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: C(O)c1c(ccc(n1)Br)N
• Canonical SMILES: OCc1nc(Br)ccc1N
• InChI: InChI=1S/C6H7BrN2O/c7-6-2-1-4(8)5(3-10)9-6/h1-2,10H,3,8H2
• InChIKey: IDXLGZVJUADTSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162103589
• PubChem CID: 71299881

CALCULATED PROPERTIES

• Acid pKa: 14.143199
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21498594
• LogD (pH = 7.4): 0.21504338
• Log P: 0.2150442
• Molar Refractivity: 43.3602 cm^3
• Polarizability: 16.023144 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false