6-(pyridin-3-yloxy)pyridin-3-amine hydrochloride

• ChemBase ID: 244263
• Molecular Formular: C10H10ClN3O
• Molecular Mass: 223.6589
• Monoisotopic Mass: 223.05123964
• SMILES: n1c(Oc2cnccc2)ccc(c1)N.Cl
• Canonical SMILES: Nc1ccc(nc1)Oc1cccnc1.Cl
• InChI: InChI=1S/C10H9N3O.ClH/c11-8-3-4-10(13-6-8)14-9-2-1-5-12-7-9;/h1-7H,11H2;1H
• InChIKey: XJMSTRPUMSSOSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyridin-3-yloxy)pyridin-3-amine hydrochloride
• IUPAC Traditional name: 6-(pyridin-3-yloxy)pyridin-3-amine hydrochloride
• Synonyms: 6-(pyridin-3-yloxy)pyridin-3-amine hydrochloride

Database IDs

• MDL Number: MFCD22628489
• PubChem SID: 164300173
• PubChem CID: 71757463

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.76344395
• LogD (pH = 7.4): 0.80318314
• Log P: 0.8037197
• Molar Refractivity: 52.9989 cm^3
• Polarizability: 20.001232 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 0.919

Product Information

• Purity: 95%