5-bromo-2-(pyridin-3-yloxy)pyridine

• ChemBase ID: 292087
• Molecular Formular: C10H7BrN2O
• Molecular Mass: 251.07938
• Monoisotopic Mass: 249.97417485
• SMILES: Brc1cnc(Oc2cccnc2)cc1
• Canonical SMILES: Brc1ccc(nc1)Oc1cccnc1
• InChI: InChI=1S/C10H7BrN2O/c11-8-3-4-10(13-6-8)14-9-2-1-5-12-7-9/h1-7H
• InChIKey: JBEQHXPNQXLTEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(pyridin-3-yloxy)pyridine
• IUPAC Traditional name: 5-bromo-2-(pyridin-3-yloxy)pyridine
• Synonyms: 5-Bromo-2-(pyridin-3-yloxy)pyridine

Database IDs

• CAS Number: 900493-23-4
• MDL Number: MFCD14652036
• PubChem SID: 180677618
• PubChem CID: 61374714

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3614712
• LogD (pH = 7.4): 2.4008663
• Log P: 2.4013982
• Molar Refractivity: 55.9213 cm^3
• Polarizability: 21.675928 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%