5-bromo-2-ethoxypyridin-3-amine

• ChemBase ID: 69175
• Molecular Formular: C7H9BrN2O
• Molecular Mass: 217.06316
• Monoisotopic Mass: 215.98982492
• SMILES: c1(c(cc(cn1)Br)N)OCC
• Canonical SMILES: CCOc1ncc(cc1N)Br
• InChI: InChI=1S/C7H9BrN2O/c1-2-11-7-6(9)3-5(8)4-10-7/h3-4H,2,9H2,1H3
• InChIKey: IQPXDUNQMPRRCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-ethoxypyridin-3-amine
• IUPAC Traditional name: 5-bromo-2-ethoxypyridin-3-amine
• Synonyms: 5-Bromo-2-ethoxypyridin-3-amine

Database IDs

• CAS Number: 886373-00-8
• PubChem SID: 162034904
• PubChem CID: 53211699

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4889514
• LogD (pH = 7.4): 1.4889938
• Log P: 1.4889942
• Molar Refractivity: 47.7496 cm^3
• Polarizability: 17.83403 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%