5-(bromomethyl)-2-chloropyridine

• ChemBase ID: 67979
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: c1(ccc(cn1)CBr)Cl
• Canonical SMILES: BrCc1ccc(nc1)Cl
• InChI: InChI=1S/C6H5BrClN/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
• InChIKey: YJOULMMJZAADRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(bromomethyl)-2-chloropyridine
• IUPAC Traditional name: 5-(bromomethyl)-2-chloropyridine
• Synonyms: 5-(Bromomethyl)-2-chloropyridine

Database IDs

• CAS Number: 182924-36-3
• MDL Number: MFCD07368893
• PubChem SID: 162033711
• PubChem CID: 6424661

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.352523
• LogD (pH = 7.4): 2.3525324
• Log P: 2.3525326
• Molar Refractivity: 42.6176 cm^3
• Polarizability: 16.03301 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%