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

• ChemBase ID: 71282
• Molecular Formular: C10H7ClN2
• Molecular Mass: 190.62898
• Monoisotopic Mass: 190.02977591
• SMILES: n1c(ccc(c1)c1ccncc1)Cl
• Canonical SMILES: Clc1ccc(cn1)c1ccncc1
• InChI: InChI=1S/C10H7ClN2/c11-10-2-1-9(7-13-10)8-3-5-12-6-4-8/h1-7H
• InChIKey: AZESIBFJNSNUBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(pyridin-4-yl)pyridine
• IUPAC Traditional name: 2-chloro-5-(pyridin-4-yl)pyridine
• Synonyms: 6-Chloro-3,4'-bipyridine; 6-Chloro-3,4'bipyridine; 6-Chloro-3,4'-bipyridine; 6-氯-3,4'-联吡啶

Database IDs

• CAS Number: 79739-22-3
• MDL Number: MFCD00137926
• PubChem SID: 162036872
• PubChem CID: 4620853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9447083
• LogD (pH = 7.4): 2.0084553
• Log P: 2.0093482
• Molar Refractivity: 52.7465 cm^3
• Polarizability: 21.417555 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%