2,6-naphthyridin-1-amine

• ChemBase ID: 802745
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c1nc(c2ccncc2c1)N
• Canonical SMILES: Nc1nccc2c1ccnc2
• InChI: InChI=1S/C8H7N3/c9-8-7-2-3-10-5-6(7)1-4-11-8/h1-5H,(H2,9,11)
• InChIKey: KPMHXBFDZAJXLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-naphthyridin-1-amine
• IUPAC Traditional name: 2,6-naphthyridin-1-amine
• Synonyms: 2,6-NAPHTHYRIDIN-1-AMINE

Database IDs

• CAS Number: 80935-81-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17835511
• LogD (pH = 7.4): 0.291245
• Log P: 0.2929093
• Molar Refractivity: 43.2083 cm^3
• Polarizability: 17.209612 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%