1,2,3,4-tetrahydro-1,6-naphthyridine

• ChemBase ID: 114002
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: c12NCCCc1cncc2
• Canonical SMILES: C1CNc2c(C1)cncc2
• InChI: InChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h3,5-6,10H,1-2,4H2
• InChIKey: ARCSZHIPWBDSGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 1,2,3,4-tetrahydro-1,6-naphthyridine
• Synonyms: 1,2,3,4-tetrahydro-1,6-naphthyridine

Database IDs

• CAS Number: 13623-84-2
• MDL Number: MFCD08234763
• PubChem SID: 162099193
• PubChem CID: 12018703

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.27173138
• LogD (pH = 7.4): -0.21646123
• Log P: 0.71280867
• Molar Refractivity: 42.0055 cm^3
• Polarizability: 15.28332 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.668

Product Information

• Purity: 95+%; 98%