5-chloro-2-(2-chloropyridin-4-yl)pyridine

• ChemBase ID: 296525
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: c1cc(ncc1Cl)c1ccnc(c1)Cl
• Canonical SMILES: Clc1ccc(nc1)c1ccnc(c1)Cl
• InChI: InChI=1S/C10H6Cl2N2/c11-8-1-2-9(14-6-8)7-3-4-13-10(12)5-7/h1-6H
• InChIKey: BKYODZNCPNKPOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(2-chloropyridin-4-yl)pyridine
• IUPAC Traditional name: 5-chloro-2-(2-chloropyridin-4-yl)pyridine
• Synonyms: 5,2'-Dichloro-2,4'-bipyridine; 5,2 '-二氯-2,4'-二吡啶

Database IDs

• MDL Number: MFCD09037435
• PubChem SID: 180682056
• PubChem CID: 42553067

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.998952
• LogD (pH = 7.4): 2.9992394
• Log P: 2.9992433
• Molar Refractivity: 57.1793 cm^3
• Polarizability: 23.285877 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%