6-bromo-5-methoxypyridin-2-amine

• ChemBase ID: 810762
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: n1c(ccc(c1Br)OC)N
• Canonical SMILES: COc1ccc(nc1Br)N
• InChI: InChI=1S/C6H7BrN2O/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: UNAKBWCLMAJBON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5-methoxypyridin-2-amine
• IUPAC Traditional name: 6-bromo-5-methoxypyridin-2-amine
• Synonyms: 6-BROMO-5-METHOXYPYRIDIN-2-AMINE

Database IDs

• CAS Number: 79491-43-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3371924
• LogD (pH = 7.4): 1.3377018
• Log P: 1.3377084
• Molar Refractivity: 43.8432 cm^3
• Polarizability: 16.08462 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%