2,6-dibromo-5-ethoxypyridin-3-amine

• ChemBase ID: 68174
• Molecular Formular: C7H8Br2N2O
• Molecular Mass: 295.95922
• Monoisotopic Mass: 293.90033689
• SMILES: Nc1c(nc(c(c1)OCC)Br)Br
• Canonical SMILES: CCOc1cc(N)c(nc1Br)Br
• InChI: InChI=1S/C7H8Br2N2O/c1-2-12-5-3-4(10)6(8)11-7(5)9/h3H,2,10H2,1H3
• InChIKey: JBYDYHKAHAUMOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-5-ethoxypyridin-3-amine
• IUPAC Traditional name: 2,6-dibromo-5-ethoxypyridin-3-amine
• Synonyms: 2,6-Dibromo-5-ethoxypyridin-3-ylamine; 2,6-Dibromo-5-ethoxypyridin-3-amine; 3-Amino-2,6-dibromo-5-ethoxypyridine

Database IDs

• CAS Number: 1000018-10-9
• MDL Number: MFCD09864810
• PubChem SID: 162033906
• PubChem CID: 26369890

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0743334
• LogD (pH = 7.4): 2.0743334
• Log P: 2.0743334
• Molar Refractivity: 56.7433 cm^3
• Polarizability: 21.039633 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+%