2-chloro-5-(dichloromethyl)pyridine

• ChemBase ID: 88383
• Molecular Formular: C6H4Cl3N
• Molecular Mass: 196.46166
• Monoisotopic Mass: 194.94093217
• SMILES: n1c(ccc(c1)C(Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(cn1)C(Cl)Cl
• InChI: InChI=1S/C6H4Cl3N/c7-5-2-1-4(3-10-5)6(8)9/h1-3,6H
• InChIKey: WFTIMXPPHQSLAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(dichloromethyl)pyridine
• IUPAC Traditional name: 2-chloro-5-(dichloromethyl)pyridine
• Synonyms: 2-Chloro-5-(dichloromethyl)pyridine

Database IDs

• CAS Number: 72637-18-4
• PubChem SID: 162075342
• PubChem CID: 594879

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8357315
• LogD (pH = 7.4): 2.8357375
• Log P: 2.8357377
• Molar Refractivity: 44.6882 cm^3
• Polarizability: 16.977695 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon