6-chloro-3-nitro-2-phenylpyridine

• ChemBase ID: 243710
• Molecular Formular: C11H7ClN2O2
• Molecular Mass: 234.63848
• Monoisotopic Mass: 234.01960515
• SMILES: c1([N+](=O)[O-])c(nc(cc1)Cl)c1ccccc1
• Canonical SMILES: Clc1ccc(c(n1)c1ccccc1)[N+](=O)[O-]
• InChI: InChI=1S/C11H7ClN2O2/c12-10-7-6-9(14(15)16)11(13-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: IGMJZXTVWRCLKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-nitro-2-phenylpyridine
• IUPAC Traditional name: 6-chloro-3-nitro-2-phenylpyridine
• Synonyms: 6-chloro-3-nitro-2-phenylpyridine

Database IDs

• MDL Number: MFCD21790369
• PubChem SID: 164299620
• PubChem CID: 71757322

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.552855
• LogD (pH = 7.4): 3.552855
• Log P: 3.552855
• Molar Refractivity: 61.8561 cm^3
• Polarizability: 24.180943 Å^3
• Polar Surface Area: 58.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.408

Product Information

• Purity: 95%