[(2,6-dichlorophenyl)methylidene]amino 2,5-dichloropyridine-3-carboxylate

• ChemBase ID: 86848
• Molecular Formular: C13H6Cl4N2O2
• Molecular Mass: 364.01094
• Monoisotopic Mass: 361.91833816
• SMILES: n1c(c(cc(c1)Cl)C(=O)O/N=C/c1c(cccc1Cl)Cl)Cl
• Canonical SMILES: Clc1cnc(c(c1)C(=O)O/N=C/c1c(Cl)cccc1Cl)Cl
• InChI: InChI=1S/C13H6Cl4N2O2/c14-7-4-8(12(17)18-5-7)13(20)21-19-6-9-10(15)2-1-3-11(9)16/h1-6H
• InChIKey: LAJYKIOENYHLFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,6-dichlorophenyl)methylidene]amino 2,5-dichloropyridine-3-carboxylate
• IUPAC Traditional name: [(2,6-dichlorophenyl)methylidene]amino 2,5-dichloropyridine-3-carboxylate
• Synonyms: 2,5-dichloro-3-[({[(2,6-dichlorophenyl)methylene]amino}oxy)carbonyl]pyridine

Database IDs

• MDL Number: MFCD00833284
• PubChem SID: 162073964
• PubChem CID: 9583185

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.3109784
• LogD (pH = 7.4): 5.310979
• Log P: 5.310979
• Molar Refractivity: 84.4093 cm^3
• Polarizability: 31.966574 Å^3
• Polar Surface Area: 51.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false