2-chloro-3-(6-chloropyridin-3-yl)pyridine

• ChemBase ID: 296394
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: c1cc(c(nc1)Cl)c1ccc(nc1)Cl
• Canonical SMILES: Clc1ccc(cn1)c1cccnc1Cl
• InChI: InChI=1S/C10H6Cl2N2/c11-9-4-3-7(6-14-9)8-2-1-5-13-10(8)12/h1-6H
• InChIKey: KMXQXWMMKVWUSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(6-chloropyridin-3-yl)pyridine
• IUPAC Traditional name: 2-chloro-3-(6-chloropyridin-3-yl)pyridine
• Synonyms: 2,6'-Dichloro-3,3'-bipyridine; 2,6'-二氯-3,3'-二吡啶

Database IDs

• MDL Number: MFCD09037434
• PubChem SID: 180681925
• PubChem CID: 42552996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8335564
• LogD (pH = 7.4): 2.8335698
• Log P: 2.83357
• Molar Refractivity: 58.6126 cm^3
• Polarizability: 23.342535 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%