2-chloro-5-(6-chloropyridin-3-yl)pyridine

• ChemBase ID: 71308
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: n1c(ccc(c2cnc(cc2)Cl)c1)Cl
• Canonical SMILES: Clc1ccc(cn1)c1ccc(nc1)Cl
• InChI: InChI=1S/C10H6Cl2N2/c11-9-3-1-7(5-13-9)8-2-4-10(12)14-6-8/h1-6H
• InChIKey: XKIAROROTBNXKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(6-chloropyridin-3-yl)pyridine
• IUPAC Traditional name: 2-chloro-5-(6-chloropyridin-3-yl)pyridine
• Synonyms: 6,6'-Dichloro-3,3'-bipyridine; 6,6'-Dichloro-3,3'bipyridine; 6,6'-二氯-3,3'-联吡啶

Database IDs

• CAS Number: 206438-08-6
• MDL Number: MFCD09037430
• PubChem SID: 162036898
• PubChem CID: 42552995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8335593
• LogD (pH = 7.4): 2.83357
• Log P: 2.83357
• Molar Refractivity: 58.6126 cm^3
• Polarizability: 23.331593 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• 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%