2-(pyridin-2-yl)-1-(pyridin-3-yl)ethan-1-amine

• ChemBase ID: 243450
• Molecular Formular: C12H13N3
• Molecular Mass: 199.25172
• Monoisotopic Mass: 199.11094743
• SMILES: C(C(c1cnccc1)N)c1ncccc1
• Canonical SMILES: NC(c1cccnc1)Cc1ccccn1
• InChI: InChI=1S/C12H13N3/c13-12(10-4-3-6-14-9-10)8-11-5-1-2-7-15-11/h1-7,9,12H,8,13H2
• InChIKey: UBMCONSRKGUOFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)-1-(pyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(pyridin-2-yl)-1-(pyridin-3-yl)ethanamine
• Synonyms: 2-(pyridin-2-yl)-1-(pyridin-3-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD11178671
• PubChem SID: 164299360
• PubChem CID: 43138968

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1924314
• LogD (pH = 7.4): -1.0060126
• Log P: 0.7663942
• Molar Refractivity: 58.6776 cm^3
• Polarizability: 23.2718 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.023

Product Information

• Purity: 95%