2-N-(naphthalen-1-yl)pyridine-2,3-diamine

• ChemBase ID: 240123
• Molecular Formular: C15H13N3
• Molecular Mass: 235.28382
• Monoisotopic Mass: 235.11094743
• SMILES: c1(Nc2c3c(ccc2)cccc3)ncccc1N
• Canonical SMILES: Nc1cccnc1Nc1cccc2c1cccc2
• InChI: InChI=1S/C15H13N3/c16-13-8-4-10-17-15(13)18-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,16H2,(H,17,18)
• InChIKey: QIOBHOPNRXUCOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-(naphthalen-1-yl)pyridine-2,3-diamine
• IUPAC Traditional name: 2-N-(naphthalen-1-yl)pyridine-2,3-diamine
• Synonyms: 2-N-(naphthalen-1-yl)pyridine-2,3-diamine

Database IDs

• MDL Number: MFCD10690552
• PubChem SID: 164296033
• PubChem CID: 14142376

CALCULATED PROPERTIES

• Acid pKa: 16.926788
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4371173
• LogD (pH = 7.4): 2.9373488
• Log P: 2.9505074
• Molar Refractivity: 73.8514 cm^3
• Polarizability: 28.896038 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.942

Product Information

• Purity: 95%