6-(2,4-dichlorophenoxy)pyridin-3-amine

• ChemBase ID: 297550
• Molecular Formular: C11H8Cl2N2O
• Molecular Mass: 255.10002
• Monoisotopic Mass: 254.00136825
• SMILES: Nc1ccc(nc1)Oc1c(cc(cc1)Cl)Cl
• Canonical SMILES: Nc1ccc(nc1)Oc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C11H8Cl2N2O/c12-7-1-3-10(9(13)5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2
• InChIKey: XBBAKFQNAVTALV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,4-dichlorophenoxy)pyridin-3-amine
• IUPAC Traditional name: 6-(2,4-dichlorophenoxy)pyridin-3-amine
• Synonyms: 2,4-Dichlorophenoxy-5-pyridinamine; 5-Amino-2-(2,4-dichlorophenoxy)pyridine; 5-氨基-2-(2,4-二氯苯氧基)吡啶

Database IDs

• CAS Number: 85686-48-2
• MDL Number: MFCD00052643
• PubChem SID: 180683081
• PubChem CID: 735776

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.229197
• LogD (pH = 7.4): 3.229478
• Log P: 3.2294815
• Molar Refractivity: 64.7654 cm^3
• Polarizability: 24.69147 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%