3-(pyridin-3-ylmethoxy)pyridin-2-amine

• ChemBase ID: 269607
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1(ncccc1OCc1cnccc1)N
• Canonical SMILES: Nc1ncccc1OCc1cccnc1
• InChI: InChI=1S/C11H11N3O/c12-11-10(4-2-6-14-11)15-8-9-3-1-5-13-7-9/h1-7H,8H2,(H2,12,14)
• InChIKey: CWTABSBJOPRRCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-3-ylmethoxy)pyridin-2-amine
• IUPAC Traditional name: 3-(pyridin-3-ylmethoxy)pyridin-2-amine
• Synonyms: 3-(pyridin-3-ylmethoxy)pyridin-2-amine

Database IDs

• MDL Number: MFCD10690776
• PubChem SID: 164325517
• PubChem CID: 33789762

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.13052206
• LogD (pH = 7.4): 0.8160885
• Log P: 0.8702344
• Molar Refractivity: 57.8339 cm^3
• Polarizability: 21.778273 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 1.213

Product Information

• Purity: 95%