3-bromo-5-(chloromethyl)pyridine

• ChemBase ID: 180169
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: n1cc(cc(Br)c1)CCl
• Canonical SMILES: ClCc1cc(Br)cnc1
• InChI: InChI=1S/C6H5BrClN/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2H2
• InChIKey: NLPHAZLCNNDGPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-(chloromethyl)pyridine
• IUPAC Traditional name: 3-bromo-5-(chloromethyl)pyridine
• Synonyms: 3-Bromo-5-(chloromethyl) pyridine; 3-BROMO-5-(CHLOROMETHYL)PYRIDINE

Database IDs

• CAS Number: 120277-69-2
• PubChem SID: 164236079
• PubChem CID: 11701259

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1098802
• LogD (pH = 7.4): 2.1115468
• Log P: 2.1115682
• Molar Refractivity: 41.3908 cm^3
• Polarizability: 16.025051 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%