2-chloro-4-phenylpyridine

• ChemBase ID: 294248
• Molecular Formular: C11H8ClN
• Molecular Mass: 189.64092
• Monoisotopic Mass: 189.03452694
• SMILES: Clc1nccc(c2ccccc2)c1
• Canonical SMILES: Clc1nccc(c1)c1ccccc1
• InChI: InChI=1S/C11H8ClN/c12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H
• InChIKey: MROTUXXYBNRZSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-phenylpyridine
• IUPAC Traditional name: 2-chloro-4-phenylpyridine
• Synonyms: 2-Chloro-4-phenylpyridine

Database IDs

• CAS Number: 42260-39-9
• PubChem SID: 180679779
• PubChem CID: 2762842

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2270002
• LogD (pH = 7.4): 3.2270203
• Log P: 3.2270205
• Molar Refractivity: 54.9034 cm^3
• Polarizability: 22.350082 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%