6-(2,3-dichlorophenoxy)pyridine-3-carbonitrile

• ChemBase ID: 285522
• Molecular Formular: C12H6Cl2N2O
• Molecular Mass: 265.09484
• Monoisotopic Mass: 263.98571818
• SMILES: c1(c(Oc2ncc(C#N)cc2)cccc1Cl)Cl
• Canonical SMILES: N#Cc1ccc(nc1)Oc1cccc(c1Cl)Cl
• InChI: InChI=1S/C12H6Cl2N2O/c13-9-2-1-3-10(12(9)14)17-11-5-4-8(6-15)7-16-11/h1-5,7H
• InChIKey: PXLQYCSWKOVCIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,3-dichlorophenoxy)pyridine-3-carbonitrile
• IUPAC Traditional name: 6-(2,3-dichlorophenoxy)pyridine-3-carbonitrile
• Synonyms: 6-(2,3-dichlorophenoxy)pyridine-3-carbonitrile

Database IDs

• MDL Number: MFCD09951261
• PubChem SID: 180671053
• PubChem CID: 24711386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9145036
• LogD (pH = 7.4): 3.9145036
• Log P: 3.9145036
• Molar Refractivity: 65.7866 cm^3
• Polarizability: 25.420872 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): 3.447

Product Information

• Purity: 95%