2,4-bis(6-chloropyridin-3-yl)pyridine

• ChemBase ID: 296494
• Molecular Formular: C15H9Cl2N3
• Molecular Mass: 302.15806
• Monoisotopic Mass: 301.01735266
• SMILES: c1cc(ncc1c1ccnc(c1)c1ccc(nc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cn1)c1ccnc(c1)c1ccc(nc1)Cl
• InChI: InChI=1S/C15H9Cl2N3/c16-14-3-1-11(8-19-14)10-5-6-18-13(7-10)12-2-4-15(17)20-9-12/h1-9H
• InChIKey: CWMMDFDDGLQUBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-bis(6-chloropyridin-3-yl)pyridine
• IUPAC Traditional name: 2,4-bis(6-chloropyridin-3-yl)pyridine
• Synonyms: 6,6"-Dichloro-3,2':4',3"-terpyridine; 6,6 "-二氯-3,2':4',3"-三联吡啶

Database IDs

• MDL Number: MFCD09037443
• PubChem SID: 180682025
• PubChem CID: 42553048

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6416662
• LogD (pH = 7.4): 3.6488805
• Log P: 3.6489732
• Molar Refractivity: 81.2199 cm^3
• Polarizability: 33.402813 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 2
• 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%