[6-(2,3-dichlorophenoxy)pyridin-3-yl]methanamine

• ChemBase ID: 237506
• Molecular Formular: C12H10Cl2N2O
• Molecular Mass: 269.1266
• Monoisotopic Mass: 268.01701831
• SMILES: c1(c(Oc2ncc(cc2)CN)cccc1Cl)Cl
• Canonical SMILES: NCc1ccc(nc1)Oc1cccc(c1Cl)Cl
• InChI: InChI=1S/C12H10Cl2N2O/c13-9-2-1-3-10(12(9)14)17-11-5-4-8(6-15)7-16-11/h1-5,7H,6,15H2
• InChIKey: RMAYRKSZIPLOID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2,3-dichlorophenoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(2,3-dichlorophenoxy)pyridin-3-yl]methanamine
• Synonyms: [6-(2,3-dichlorophenoxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD12530109
• PubChem SID: 164293416
• PubChem CID: 43528682

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.24689527
• LogD (pH = 7.4): 1.4578543
• Log P: 3.184176
• Molar Refractivity: 68.5384 cm^3
• Polarizability: 26.927135 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.771

Product Information

• Purity: 95%