1,6-naphthyridin-5-amine

• ChemBase ID: 292903
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: Nc1nccc2ncccc12
• Canonical SMILES: Nc1nccc2c1cccn2
• InChI: InChI=1S/C8H7N3/c9-8-6-2-1-4-10-7(6)3-5-11-8/h1-5H,(H2,9,11)
• InChIKey: QPRRHZRNVVGWEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-naphthyridin-5-amine
• IUPAC Traditional name: 1,6-naphthyridin-5-amine
• Synonyms: 1,6-Naphthyridin-5-amine

Database IDs

• CAS Number: 55570-60-0
• PubChem SID: 180678434
• PubChem CID: 29249622

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 0.6236916
• LogD (pH = 7.4): 0.6780178
• Log P: 0.67875963
• Molar Refractivity: 42.8363 cm^3
• Polarizability: 17.21181 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Product Information

• Purity: 95+%; 98%