6-(4-bromophenoxy)pyridin-3-amine

• ChemBase ID: 101021
• Molecular Formular: C11H9BrN2O
• Molecular Mass: 265.10596
• Monoisotopic Mass: 263.98982492
• SMILES: n1c(Oc2ccc(Br)cc2)ccc(c1)N
• Canonical SMILES: Brc1ccc(cc1)Oc1ccc(cn1)N
• InChI: InChI=1S/C11H9BrN2O/c12-8-1-4-10(5-2-8)15-11-6-3-9(13)7-14-11/h1-7H,13H2
• InChIKey: BQTGEPHGOSFJKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-bromophenoxy)pyridin-3-amine
• IUPAC Traditional name: 6-(4-bromophenoxy)pyridin-3-amine
• Synonyms: 6-(4-bromophenoxy)pyridin-3-amine

Database IDs

• CAS Number: 77006-26-9
• MDL Number: MFCD00052796
• PubChem SID: 162089139
• PubChem CID: 2800158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.789831
• LogD (pH = 7.4): 2.7901409
• Log P: 2.7901447
• Molar Refractivity: 62.7786 cm^3
• Polarizability: 23.671133 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%