2-chloro-5-phenylpyridine

• ChemBase ID: 274753
• Molecular Formular: C11H8ClN
• Molecular Mass: 189.64092
• Monoisotopic Mass: 189.03452694
• SMILES: n1c(ccc(c1)c1ccccc1)Cl
• Canonical SMILES: Clc1ccc(cn1)c1ccccc1
• InChI: InChI=1S/C11H8ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
• InChIKey: GPTCNPDHDYHZER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-phenylpyridine
• IUPAC Traditional name: 2-chloro-5-phenylpyridine
• Synonyms: 2-chloro-5-phenylpyridine

Database IDs

• MDL Number: MFCD04114187
• PubChem SID: 164330663
• PubChem CID: 2762868

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.227014
• LogD (pH = 7.4): 3.2270205
• Log P: 3.2270205
• Molar Refractivity: 54.9034 cm^3
• Polarizability: 22.349451 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.33

Product Information

• Purity: 95%