4-(bromomethyl)-2,6-dichloropyridine

• ChemBase ID: 84292
• Molecular Formular: C6H4BrCl2N
• Molecular Mass: 240.91266
• Monoisotopic Mass: 238.89041649
• SMILES: n1c(cc(cc1Cl)CBr)Cl
• Canonical SMILES: BrCc1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C6H4BrCl2N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2
• InChIKey: XDKGMGJZRFOZRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomethyl)-2,6-dichloropyridine
• IUPAC Traditional name: 4-(bromomethyl)-2,6-dichloropyridine
• Synonyms: 4-(Bromomethyl)-2,6-dichloropyridine

Database IDs

• CAS Number: 175204-45-2
• MDL Number: MFCD00052637
• PubChem SID: 162071408
• PubChem CID: 2781829

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1767545
• LogD (pH = 7.4): 3.1767545
• Log P: 3.1767545
• Molar Refractivity: 48.4837 cm^3
• Polarizability: 18.086288 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic