2,3-dichloro-4-(3-chloropyridin-2-yl)pyridine

• ChemBase ID: 302701
• Molecular Formular: C10H5Cl3N2
• Molecular Mass: 259.5191
• Monoisotopic Mass: 257.95183121
• SMILES: c1cc(c(nc1)c1ccnc(c1Cl)Cl)Cl
• Canonical SMILES: Clc1c(Cl)nccc1c1ncccc1Cl
• InChI: InChI=1S/C10H5Cl3N2/c11-7-2-1-4-14-9(7)6-3-5-15-10(13)8(6)12/h1-5H
• InChIKey: XRBHCIZZHAERLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-4-(3-chloropyridin-2-yl)pyridine
• IUPAC Traditional name: 2,3-dichloro-4-(3-chloropyridin-2-yl)pyridine
• Synonyms: 2',3,3'-Trichloro-2,4-bipyridine; 2',3,3'-三氯-2,4'-二吡啶

Database IDs

• MDL Number: MFCD09953507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6030972
• LogD (pH = 7.4): 3.6032856
• Log P: 3.603288
• Molar Refractivity: 61.9841 cm^3
• Polarizability: 25.246044 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168-170°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 20/21/22
• Safety Statements: 9-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332
• GHS Precautionary statements: P261-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 98%