2-chloro-6-(4-chlorophenoxy)pyridine-4-carbonitrile

• ChemBase ID: 86682
• Molecular Formular: C12H6Cl2N2O
• Molecular Mass: 265.09484
• Monoisotopic Mass: 263.98571818
• SMILES: n1c(cc(cc1Oc1ccc(cc1)Cl)C#N)Cl
• Canonical SMILES: N#Cc1cc(Oc2ccc(cc2)Cl)nc(c1)Cl
• InChI: InChI=1S/C12H6Cl2N2O/c13-9-1-3-10(4-2-9)17-12-6-8(7-15)5-11(14)16-12/h1-6H
• InChIKey: FFSQQKSBHACKFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(4-chlorophenoxy)pyridine-4-carbonitrile
• IUPAC Traditional name: 2-chloro-6-(4-chlorophenoxy)pyridine-4-carbonitrile
• Synonyms: 2-chloro-6-(4-chlorophenoxy)isonicotinonitrile

Database IDs

• MDL Number: MFCD01571352
• PubChem SID: 162073798
• PubChem CID: 2799862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1346807
• LogD (pH = 7.4): 4.1346807
• Log P: 4.1346807
• Molar Refractivity: 66.8479 cm^3
• Polarizability: 25.42879 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true