N-(pyridin-2-ylmethyl)pyridin-4-amine

• ChemBase ID: 245916
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1c(CNc2ccncc2)cccc1
• Canonical SMILES: n1ccc(cc1)NCc1ccccn1
• InChI: InChI=1S/C11H11N3/c1-2-6-13-11(3-1)9-14-10-4-7-12-8-5-10/h1-8H,9H2,(H,12,14)
• InChIKey: FWPHEMAPOLGJPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-2-ylmethyl)pyridin-4-amine
• IUPAC Traditional name: N-(pyridin-2-ylmethyl)pyridin-4-amine
• Synonyms: N-(pyridin-2-ylmethyl)pyridin-4-amine

Database IDs

• MDL Number: MFCD11125394
• PubChem SID: 164301826
• PubChem CID: 29792842

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.17853357
• LogD (pH = 7.4): -0.040313356
• Log P: 0.8166241
• Molar Refractivity: 56.0284 cm^3
• Polarizability: 21.106031 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.067

Product Information

• Purity: 95%