2,3-bis(chloromethyl)pyridine

• ChemBase ID: 802166
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: n1c(c(ccc1)CCl)CCl
• Canonical SMILES: ClCc1ncccc1CCl
• InChI: InChI=1S/C7H7Cl2N/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4-5H2
• InChIKey: FDHDTLFJPYRSBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(chloromethyl)pyridine
• IUPAC Traditional name: 2,3-bis(chloromethyl)pyridine
• Synonyms: 2,3-BIS(CHLOROMETHYL)PYRIDINE

Database IDs

• CAS Number: 45754-12-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0022907
• LogD (pH = 7.4): 2.011412
• Log P: 2.0115294
• Molar Refractivity: 43.1127 cm^3
• Polarizability: 16.781612 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%