2-bromo-5-ethoxypyridin-3-amine

• ChemBase ID: 68205
• Molecular Formular: C7H9BrN2O
• Molecular Mass: 217.06316
• Monoisotopic Mass: 215.98982492
• SMILES: Nc1c(ncc(c1)OCC)Br
• Canonical SMILES: CCOc1cnc(c(c1)N)Br
• InChI: InChI=1S/C7H9BrN2O/c1-2-11-5-3-6(9)7(8)10-4-5/h3-4H,2,9H2,1H3
• InChIKey: QMKWFTLJPPPHTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-ethoxypyridin-3-amine
• IUPAC Traditional name: 2-bromo-5-ethoxypyridin-3-amine
• Synonyms: 2-Bromo-5-ethoxypyridin-3-ylamine; 2-Bromo-5-ethoxypyridin-3-amine; 3-Amino-2-bromo-5-ethoxypyridine

Database IDs

• CAS Number: 663193-84-8
• MDL Number: MFCD03695819
• PubChem SID: 162033937
• PubChem CID: 26369888

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1000093
• LogD (pH = 7.4): 1.1000582
• Log P: 1.1000588
• Molar Refractivity: 48.2783 cm^3
• Polarizability: 17.883171 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%