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

• ChemBase ID: 296487
• Molecular Formular: C15H10ClN3
• Molecular Mass: 267.713
• Monoisotopic Mass: 267.05632502
• SMILES: c1cc(cnc1)c1ccc(cn1)c1ccc(nc1)Cl
• Canonical SMILES: Clc1ccc(cn1)c1ccc(nc1)c1cccnc1
• InChI: InChI=1S/C15H10ClN3/c16-15-6-4-12(10-19-15)11-3-5-14(18-9-11)13-2-1-7-17-8-13/h1-10H
• InChIKey: HFAGORVNAKFNGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-chloropyridin-3-yl)-2-(pyridin-3-yl)pyridine
• IUPAC Traditional name: 5-(6-chloropyridin-3-yl)-2-(pyridin-3-yl)pyridine
• Synonyms: 6"-Chloro-3,2':5',3"-terpyridine; 6"-氯-3,2':5',3"-三联吡啶

Database IDs

• MDL Number: MFCD09037442
• PubChem SID: 180682018
• PubChem CID: 42553044

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7972043
• LogD (pH = 7.4): 2.8243926
• Log P: 2.8247514
• Molar Refractivity: 75.3538 cm^3
• Polarizability: 31.53212 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%