6-(4-chlorophenoxy)pyridin-3-amine

• ChemBase ID: 263502
• Molecular Formular: C11H9ClN2O
• Molecular Mass: 220.65496
• Monoisotopic Mass: 220.0403406
• SMILES: n1c(Oc2ccc(Cl)cc2)ccc(c1)N
• Canonical SMILES: Clc1ccc(cc1)Oc1ccc(cn1)N
• InChI: InChI=1S/C11H9ClN2O/c12-8-1-4-10(5-2-8)15-11-6-3-9(13)7-14-11/h1-7H,13H2
• InChIKey: POEUJOWYZVKVMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-chlorophenoxy)pyridin-3-amine
• IUPAC Traditional name: 6-(4-chlorophenoxy)pyridin-3-amine
• Synonyms: 6-(4-chlorophenoxy)pyridin-3-amine

Database IDs

• MDL Number: MFCD00052646
• PubChem SID: 164319412
• PubChem CID: 420644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6251225
• LogD (pH = 7.4): 2.625433
• Log P: 2.6254368
• Molar Refractivity: 59.9606 cm^3
• Polarizability: 22.762007 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 3.129

Product Information

• Purity: 95%