5-bromo-4-methoxypyridin-2-amine

• ChemBase ID: 244722
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: c1c(c(cnc1N)Br)OC
• Canonical SMILES: COc1cc(N)ncc1Br
• InChI: InChI=1S/C6H7BrN2O/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3,(H2,8,9)
• InChIKey: TWXZYWWOMADXFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-methoxypyridin-2-amine
• IUPAC Traditional name: 5-bromo-4-methoxypyridin-2-amine
• Synonyms: 5-bromo-4-methoxypyridin-2-amine

Database IDs

• MDL Number: MFCD15143383
• PubChem SID: 164300632
• PubChem CID: 53485433

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.22009975
• LogD (pH = 7.4): 1.083679
• Log P: 1.1321863
• Molar Refractivity: 43.001 cm^3
• Polarizability: 16.034727 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 1.466

Product Information

• Purity: 95%