6-bromo-3-methoxypyridin-2-amine

• ChemBase ID: 294823
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: COc1ccc(Br)nc1N
• Canonical SMILES: COc1ccc(nc1N)Br
• InChI: InChI=1S/C6H7BrN2O/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3,(H2,8,9)
• InChIKey: VGGUXXXEJBQZHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-methoxypyridin-2-amine
• IUPAC Traditional name: 6-bromo-3-methoxypyridin-2-amine
• Synonyms: 6-Bromo-3-methoxypyridin-2-amine

Database IDs

• CAS Number: 916737-77-4
• MDL Number: MFCD15142726
• PubChem SID: 180680354
• PubChem CID: 57562906

CALCULATED PROPERTIES

• Acid pKa: 19.946424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3365722
• LogD (pH = 7.4): 1.337694
• Log P: 1.3377084
• Molar Refractivity: 43.8432 cm^3
• Polarizability: 16.079151 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%