2,3,6-trichloropyridine

• ChemBase ID: 266548
• Molecular Formular: C5H2Cl3N
• Molecular Mass: 182.43508
• Monoisotopic Mass: 180.92528211
• SMILES: n1c(c(ccc1Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(c(n1)Cl)Cl
• InChI: InChI=1S/C5H2Cl3N/c6-3-1-2-4(7)9-5(3)8/h1-2H
• InChIKey: GPAKJVMKNDXBHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,6-trichloropyridine
• IUPAC Traditional name: 2,3,6-trichloropyridine
• Synonyms: 2,3,6-trichloropyridine

Database IDs

• CAS Number: 29154-14-1; 6515-09-9
• MDL Number: MFCD00463516
• PubChem SID: 164322458
• PubChem CID: 23016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.008062
• LogD (pH = 7.4): 3.008062
• Log P: 3.008062
• Molar Refractivity: 40.4381 cm^3
• Polarizability: 15.349517 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.788

Product Information

• Purity: 95%; 95+%; 98%