3,4,5-trichloro-2-(trichloromethyl)pyridine

• ChemBase ID: 254372
• Molecular Formular: C6HCl6N
• Molecular Mass: 299.79684
• Monoisotopic Mass: 296.82401512
• SMILES: c1(c(c(c(cn1)Cl)Cl)Cl)C(Cl)(Cl)Cl
• Canonical SMILES: Clc1cnc(c(c1Cl)Cl)C(Cl)(Cl)Cl
• InChI: InChI=1S/C6HCl6N/c7-2-1-13-5(6(10,11)12)4(9)3(2)8/h1H
• InChIKey: YWSFDYUMEBEQNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trichloro-2-(trichloromethyl)pyridine
• IUPAC Traditional name: 3,4,5-trichloro-2-(trichloromethyl)pyridine
• Synonyms: 3,4,5-trichloro-2-(trichloromethyl)pyridine

Database IDs

• CAS Number: 1201-30-5
• MDL Number: MFCD00160148
• PubChem SID: 164310282
• PubChem CID: 70990

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.451466
• LogD (pH = 7.4): 4.451466
• Log P: 4.451466
• Molar Refractivity: 58.4216 cm^3
• Polarizability: 22.94546 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.646

Product Information

• Purity: 95%