2-(2-bromophenoxy)pyridin-4-amine

• ChemBase ID: 273970
• Molecular Formular: C11H9BrN2O
• Molecular Mass: 265.10596
• Monoisotopic Mass: 263.98982492
• SMILES: c1(cc(N)ccn1)Oc1c(Br)cccc1
• Canonical SMILES: Nc1ccnc(c1)Oc1ccccc1Br
• InChI: InChI=1S/C11H9BrN2O/c12-9-3-1-2-4-10(9)15-11-7-8(13)5-6-14-11/h1-7H,(H2,13,14)
• InChIKey: BTKNNKCJMKDNHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromophenoxy)pyridin-4-amine
• IUPAC Traditional name: 2-(2-bromophenoxy)pyridin-4-amine
• Synonyms: 2-(2-bromophenoxy)pyridin-4-amine

Database IDs

• MDL Number: MFCD16084433
• PubChem SID: 164329880
• PubChem CID: 52192418

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3536026
• LogD (pH = 7.4): 2.7802134
• Log P: 2.7901447
• Molar Refractivity: 62.7786 cm^3
• Polarizability: 23.67498 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 3.049

Product Information

• Purity: 95%