5-bromo-3-methoxypyridin-2-amine

• ChemBase ID: 32448
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: c1(cnc(c(c1)OC)N)Br
• Canonical SMILES: COc1cc(Br)cnc1N
• InChI: InChI=1S/C6H7BrN2O/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3,(H2,8,9)
• InChIKey: NFBIWMFMHLPVLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-methoxypyridin-2-amine
• IUPAC Traditional name: 5-bromo-3-methoxypyridin-2-amine
• Synonyms: 5-Bromo-3-methoxypyridin-2-amine; 5-Bromo-3-methoxypyridin-2-amine; 2-Amino-5-bromo-3-methoxypyridine; 2-氨基-5-溴-3-甲氧基吡啶

Database IDs

• CAS Number: 42409-58-5
• MDL Number: MFCD09909849
• PubChem SID: 160995755
• PubChem CID: 22271407

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.067845
• LogD (pH = 7.4): 1.1313095
• Log P: 1.1321863
• Molar Refractivity: 43.001 cm^3
• Polarizability: 16.031878 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-82°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%; 97%