5,6,7,8-tetrahydro-1,7-naphthyridine

• ChemBase ID: 293423
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: c12c(nccc1)CNCC2
• Canonical SMILES: C1NCc2c(C1)cccn2
• InChI: InChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-2,4,9H,3,5-6H2
• InChIKey: SRQJSMFCZYZSLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydro-1,7-naphthyridine
• IUPAC Traditional name: 5,6,7,8-tetrahydro-1,7-naphthyridine
• Synonyms: 5,6,7,8-Tetrahydro-1,7-naphthyridine

Database IDs

• CAS Number: 13623-85-3
• MDL Number: MFCD08752597
• PubChem SID: 180678954
• PubChem CID: 11356225

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.085385
• LogD (pH = 7.4): -0.3523967
• Log P: 0.43528262
• Molar Refractivity: 39.9365 cm^3
• Polarizability: 15.67829 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%