2-ethyl-1,6-naphthyridine

• ChemBase ID: 248810
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1c2c(ccc1CC)cncc2
• Canonical SMILES: CCc1ccc2c(n1)ccnc2
• InChI: InChI=1S/C10H10N2/c1-2-9-4-3-8-7-11-6-5-10(8)12-9/h3-7H,2H2,1H3
• InChIKey: PSSPPIFHACYXBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1,6-naphthyridine
• IUPAC Traditional name: 2-ethyl-1,6-naphthyridine
• Synonyms: 2-ethyl-1,6-naphthyridine

Database IDs

• MDL Number: MFCD18802753
• PubChem SID: 164304720
• PubChem CID: 21828187

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.743089
• LogD (pH = 7.4): 1.7451082
• Log P: 1.7451341
• Molar Refractivity: 47.0408 cm^3
• Polarizability: 19.718746 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.965

Product Information

• Purity: 95%