2-chloro-5-(trichloromethyl)pyridine

• ChemBase ID: 85296
• Molecular Formular: C6H3Cl4N
• Molecular Mass: 230.90672
• Monoisotopic Mass: 228.90195982
• SMILES: n1c(ccc(c1)C(Cl)(Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(cn1)C(Cl)(Cl)Cl
• InChI: InChI=1S/C6H3Cl4N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
• InChIKey: VLJIVLGVKMTBOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(trichloromethyl)pyridine
• IUPAC Traditional name: 2-chloro-5-(trichloromethyl)pyridine
• Synonyms: 2-Chloro-5-(trichloromethyl)pyridine; 2-CHLORO-5-TRICHLOROMETHYLPYRIDINE

Database IDs

• CAS Number: 69045-78-9
• MDL Number: MFCD00160145
• PubChem SID: 162072412
• PubChem CID: 50293

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0776992
• LogD (pH = 7.4): 3.0777035
• Log P: 3.0777035
• Molar Refractivity: 50.2453 cm^3
• Polarizability: 18.925411 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.42

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95%; 95+%; 98%