N-(pyridin-2-ylmethyl)pyridin-3-amine

• ChemBase ID: 267080
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1c(CNc2cnccc2)cccc1
• Canonical SMILES: c1ccc(nc1)CNc1cccnc1
• InChI: InChI=1S/C11H11N3/c1-2-7-13-11(4-1)9-14-10-5-3-6-12-8-10/h1-8,14H,9H2
• InChIKey: OELQXGHMMBRMDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11140233
• PubChem SID: 164322990
• PubChem CID: 28430374

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6072667
• LogD (pH = 7.4): 0.8130939
• Log P: 0.8166241
• Molar Refractivity: 56.0284 cm^3
• Polarizability: 21.110624 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50 - 52°C
• Hydrophobicity(logP): 1.067

Product Information

• Purity: 95%